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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

Synopsis

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Chemistry

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Also known as:

Molecular Formula

C₁₅H₁₈FNO₂

Molecular Weight

263.31 g/mol

InChI Key

PYMCWQVGVQEZNO-UHFFFAOYSA-N

1 2D Structure

Fk962

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(4-acetylcyclohexyl)-4-fluorobenzamide

2.1.2 InChI

InChI=1S/C15H18FNO2/c1-10(18)11-4-8-14(9-5-11)17-15(19)12-2-6-13(16)7-3-12/h2-3,6-7,11,14H,4-5,8-9H2,1H3,(H,17,19)

2.1.3 InChI Key

PYMCWQVGVQEZNO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1CCC(CC1)NC(=O)C2=CC=C(C=C2)F

2.2 Create Date

2012-03-21

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₈FNO₂
Molecular Weight	263.31 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	263.13215698 g/mol
Monoisotopic Mass	263.13215698 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	329
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