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Also known as: 317374-08-6, 2-methyl-4-(2-methylbenzoylamino)benzoic acid, 2-methyl-4-(2-methyl-benzoylamino)benzoic acid, 2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid, 2-methyl-4-(2-methyl-benzoylamino)-benzoic acid, Benzoic acid, 2-methyl-4-[(2-methylbenzoyl)amino]-
Molecular Formula
C16H15NO3
Molecular Weight
269.29  g/mol
InChI Key
KJGSVQLCVULXJU-UHFFFAOYSA-N

CAS 317374-08-6
1 2D Structure

CAS 317374-08-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methyl-4-[(2-methylbenzoyl)amino]benzoic acid
2.1.2 InChI
InChI=1S/C16H15NO3/c1-10-5-3-4-6-13(10)15(18)17-12-7-8-14(16(19)20)11(2)9-12/h3-9H,1-2H3,(H,17,18)(H,19,20)
2.1.3 InChI Key
KJGSVQLCVULXJU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 317374-08-6

2. 2-methyl-4-(2-methylbenzoylamino)benzoic Acid

3. 2-methyl-4-(2-methyl-benzoylamino)benzoic Acid

4. 2-methyl-4-[(2-methylbenzoyl)amino]benzoic Acid

5. 2-methyl-4-(2-methyl-benzoylamino)-benzoic Acid

6. Benzoic Acid, 2-methyl-4-[(2-methylbenzoyl)amino]-

7. 2-methyl-4-(2-methylbenzamido)benzoicacid

8. Schembl533724

9. Dtxsid30649002

10. Bcp20411

11. Mfcd16038736

12. Zinc44749779

13. Akos011099138

14. Ac-25520

15. As-18284

16. Db-068517

17. Am20090721

18. Cs-0152974

19. Ft-0659534

20. 374m086

21. A820976

22. A857007

23. J-509965

24. 2-methyl-4-[(2-methylphenyl)carbonylamino]benzoic Acid

25. 2-methyl-4-[[(2-methylphenyl)-oxomethyl]amino]benzoic Acid

2.3 Create Date
2009-03-23
3 Chemical and Physical Properties
Molecular Weight 269.29 g/mol
Molecular Formula C16H15NO3
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass269.10519334 g/mol
Monoisotopic Mass269.10519334 g/mol
Topological Polar Surface Area66.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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