N-(4-cyanocyclohexyl)-2-fluorobenzamide

C14H15FN2O — CID 115270160

IUPACN-(4-cyanocyclohexyl)-2-fluorobenzamide
SMILESN#CC1CCC(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H15FN2O/c15-13-4-2-1-3-12(13)14(18)17-11-7-5-10(9-16)6-8-11/h1-4,10-11H,5-8H2,(H,17,18)
InChIKeyYKKOIWFNOCASID-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.64
Rot. Bonds2

About N-(4-cyanocyclohexyl)-2-fluorobenzamide

N-(4-cyanocyclohexyl)-2-fluorobenzamide (PubChem CID 115270160) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-2-fluorobenzamide
PubChem CID115270160
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC NameN-(4-cyanocyclohexyl)-2-fluorobenzamide
SMILESN#CC1CCC(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H15FN2O/c15-13-4-2-1-3-12(13)14(18)17-11-7-5-10(9-16)6-8-11/h1-4,10-11H,5-8H2,(H,17,18)
InChIKeyYKKOIWFNOCASID-UHFFFAOYSA-N
XLogP2.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-(4-cyanocyclohexyl)-3,4-difluorobenzamide
CID 115270179
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
CID 112729579
N-(4-cyanocyclohexyl)-2-phenylacetamide
CID 115270171
N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64724976
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709498

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-2-fluorobenzamide?
The IUPAC name of N-(4-cyanocyclohexyl)-2-fluorobenzamide (CID 115270160) is N-(4-cyanocyclohexyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-2-fluorobenzamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-2-fluorobenzamide is N#CC1CCC(NC(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(4-cyanocyclohexyl)-2-fluorobenzamide?
The InChIKey is YKKOIWFNOCASID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-13-4-2-1-3-12(13)14(18)17-11-7-5-10(9-16)6-8-11/h1-4,10-11H,5-8H2,(H,17,18).
What are the key properties of N-(4-cyanocyclohexyl)-2-fluorobenzamide?
N-(4-cyanocyclohexyl)-2-fluorobenzamide has a molecular weight of 246.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-2-fluorobenzamide is sourced from PubChem (CID 115270160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).