N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide

C15H16F2N2O2 — CID 60704762

IUPACN-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide
SMILESN#CC1(NC(=O)c2ccccc2OC(F)F)CCCCC1
InChIInChI=1S/C15H16F2N2O2/c16-14(17)21-12-7-3-2-6-11(12)13(20)19-15(10-18)8-4-1-5-9-15/h2-3,6-7,14H,1,4-5,8-9H2,(H,19,20)
InChIKeyDPUFZNPVAISCIA-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.24
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide

N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide (PubChem CID 60704762) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide
PubChem CID60704762
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC NameN-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide
SMILESN#CC1(NC(=O)c2ccccc2OC(F)F)CCCCC1
InChIInChI=1S/C15H16F2N2O2/c16-14(17)21-12-7-3-2-6-11(12)13(20)19-15(10-18)8-4-1-5-9-15/h2-3,6-7,14H,1,4-5,8-9H2,(H,19,20)
InChIKeyDPUFZNPVAISCIA-UHFFFAOYSA-N
XLogP3.24
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609690
1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid
CID 81158711
2-amino-N-(1-cyanocyclohexyl)benzamide
CID 110474346
N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide
CID 63754520
3-bromo-N-(1-cyanocycloheptyl)-2-fluorobenzamide
CID 106547595
1-[[[2-(difluoromethoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544682
N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
CID 60967121
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoic acid
CID 45394212
N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide
CID 60704649

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide (CID 60704762) is N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide is N#CC1(NC(=O)c2ccccc2OC(F)F)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide?
The InChIKey is DPUFZNPVAISCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c16-14(17)21-12-7-3-2-6-11(12)13(20)19-15(10-18)8-4-1-5-9-15/h2-3,6-7,14H,1,4-5,8-9H2,(H,19,20).
What are the key properties of N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide?
N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide has a molecular weight of 294.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 60704762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).