CAS 280773-17-3

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide

2.1.2 InChI

InChI=1S/C13H12ClN3O2/c1-19-9-3-4-11(15)10(6-9)13(18)17-12-5-2-8(14)7-16-12/h2-7H,15H2,1H3,(H,16,17,18)

2.1.3 InChI Key

GCCIHZVIPXGAPR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=C(C=C1)N)C(=O)NC2=NC=C(C=C2)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 280773-17-3

2. Benzamide, 2-amino-n-(5-chloro-2-pyridinyl)-5-methoxy-

3. 2-amino-n-(5-chloro-2-pyridyl)-5-methoxybenzamide

4. Mfcd12841614

5. 2-amino-n-(5-chloro-2-pyridinyl)-5-methoxybenzamide

6. Schembl155078

7. Dtxsid20619855

8. Bcp18251

9. Cs-m3559

10. Am9867

11. Zb0698

12. Zinc37846854

13. Akos005785501

14. Ds-18219

15. Sy034762

16. Db-020533

17. Ft-0698160

18. A856979

19. 2-amino-n-(5-chloro-pyridin-2-yl)-5-methoxy-benzamide

20. N-(5-chloro-pyridin-2-yl)-5-methoxy-2-aminobenzamide

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₂ClN₃O₂
Molecular Weight	277.70 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	277.0618043 g/mol
Monoisotopic Mass	277.0618043 g/mol
Topological Polar Surface Area	77.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	316
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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