N-(4-cyanocyclohexyl)-3,4-difluorobenzamide

C14H14F2N2O — CID 115270179

IUPACN-(4-cyanocyclohexyl)-3,4-difluorobenzamide
SMILESN#CC1CCC(NC(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H14F2N2O/c15-12-6-3-10(7-13(12)16)14(19)18-11-4-1-9(8-17)2-5-11/h3,6-7,9,11H,1-2,4-5H2,(H,18,19)
InChIKeyZOXAGVYNVLYYEJ-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.78
Rot. Bonds2

About N-(4-cyanocyclohexyl)-3,4-difluorobenzamide

N-(4-cyanocyclohexyl)-3,4-difluorobenzamide (PubChem CID 115270179) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-3,4-difluorobenzamide
PubChem CID115270179
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC NameN-(4-cyanocyclohexyl)-3,4-difluorobenzamide
SMILESN#CC1CCC(NC(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H14F2N2O/c15-12-6-3-10(7-13(12)16)14(19)18-11-4-1-9(8-17)2-5-11/h3,6-7,9,11H,1-2,4-5H2,(H,18,19)
InChIKeyZOXAGVYNVLYYEJ-UHFFFAOYSA-N
XLogP2.78
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanocyclohexyl)-2-fluorobenzamide
CID 115270160
N-(4-cyanocyclohexyl)-4-methoxybenzamide
CID 115270168
N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane
CID 142344711
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
N-cyano-3,4-difluorobenzamide
CID 79195155
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 87026429
N-[3-(cyclopropylamino)propyl]-3,4-difluorobenzamide
CID 43596480
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
CID 63821791

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-3,4-difluorobenzamide?
The IUPAC name of N-(4-cyanocyclohexyl)-3,4-difluorobenzamide (CID 115270179) is N-(4-cyanocyclohexyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-3,4-difluorobenzamide is N#CC1CCC(NC(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(4-cyanocyclohexyl)-3,4-difluorobenzamide?
The InChIKey is ZOXAGVYNVLYYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c15-12-6-3-10(7-13(12)16)14(19)18-11-4-1-9(8-17)2-5-11/h3,6-7,9,11H,1-2,4-5H2,(H,18,19).
What are the key properties of N-(4-cyanocyclohexyl)-3,4-difluorobenzamide?
N-(4-cyanocyclohexyl)-3,4-difluorobenzamide has a molecular weight of 264.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-3,4-difluorobenzamide is sourced from PubChem (CID 115270179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).