3-(cyanomethyl)-N-cyclopentylbenzamide

C14H16N2O — CID 82178994

IUPAC3-(cyanomethyl)-N-cyclopentylbenzamide
SMILESN#CCc1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C14H16N2O/c15-9-8-11-4-3-5-12(10-11)14(17)16-13-6-1-2-7-13/h3-5,10,13H,1-2,6-8H2,(H,16,17)
InChIKeyNOSGVMVGXAAZHV-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.43
Rot. Bonds3

About 3-(cyanomethyl)-N-cyclopentylbenzamide

3-(cyanomethyl)-N-cyclopentylbenzamide (PubChem CID 82178994) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(cyanomethyl)-N-cyclopentylbenzamide.

Molecular Properties

Compound Name3-(cyanomethyl)-N-cyclopentylbenzamide
PubChem CID82178994
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(cyanomethyl)-N-cyclopentylbenzamide
SMILESN#CCc1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C14H16N2O/c15-9-8-11-4-3-5-12(10-11)14(17)16-13-6-1-2-7-13/h3-5,10,13H,1-2,6-8H2,(H,16,17)
InChIKeyNOSGVMVGXAAZHV-UHFFFAOYSA-N
XLogP2.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
3-(cyanomethyl)benzohydrazide
CID 68715824
3-(cyanomethyl)-N-methylbenzamide
CID 69441046
3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide
CID 78885620
[3-(cyclopentylcarbamoyl)phenyl]borinic acid
CID 142459248
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
3-(cyanomethyl)-N-(2-methoxyethyl)benzamide
CID 59900568
N-cyclooctyl-3-methylbenzamide
CID 966011
3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide
CID 68826108
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-N-cyclopentylbenzamide?
The IUPAC name of 3-(cyanomethyl)-N-cyclopentylbenzamide (CID 82178994) is 3-(cyanomethyl)-N-cyclopentylbenzamide.
What is the SMILES notation for 3-(cyanomethyl)-N-cyclopentylbenzamide?
The canonical SMILES for 3-(cyanomethyl)-N-cyclopentylbenzamide is N#CCc1cccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyanomethyl)-N-cyclopentylbenzamide?
The InChIKey is NOSGVMVGXAAZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-9-8-11-4-3-5-12(10-11)14(17)16-13-6-1-2-7-13/h3-5,10,13H,1-2,6-8H2,(H,16,17).
What are the key properties of 3-(cyanomethyl)-N-cyclopentylbenzamide?
3-(cyanomethyl)-N-cyclopentylbenzamide has a molecular weight of 228.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-N-cyclopentylbenzamide is sourced from PubChem (CID 82178994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).