N-(1-cyanocyclohexyl)-3-fluorobenzamide

N-(1-cyanocyclohexyl)-3-fluorobenzamide

CAS: 912770-84-4

Formula: C14H15FN2O

SMILES: FC1=CC=CC(=C1)C(=O)NC1(CCCCC1)C#N

IUPAC: N-(1-cyanocyclohexyl)-3-fluorobenzamide

InChI: InChI=1S/C14H15FN2O/c15-12-6-4-5-11(9-12)13(18)17-14(10-16)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,17,18)

Composition: C (68.28%), H (6.14%), F (7.71%), N (11.37%), O (6.50%)

Molar Mass: 246.285

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	246.116841274
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RGRFDMQJKTUTKF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.37
Topological Polar Surface Area	52.89
Polarizability	24.85
Ring Count	2
Rotatable Bond Count	2

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