3-cyano-N-(3,3-dimethylcyclopentyl)benzamide

C15H18N2O — CID 115880768

IUPAC3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2cccc(C#N)c2)C1
InChIInChI=1S/C15H18N2O/c1-15(2)7-6-13(9-15)17-14(18)12-5-3-4-11(8-12)10-16/h3-5,8,13H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyWGNYHULFLSQVSX-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.87
Rot. Bonds2

About 3-cyano-N-(3,3-dimethylcyclopentyl)benzamide

3-cyano-N-(3,3-dimethylcyclopentyl)benzamide (PubChem CID 115880768) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-cyano-N-(3,3-dimethylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
PubChem CID115880768
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2cccc(C#N)c2)C1
InChIInChI=1S/C15H18N2O/c1-15(2)7-6-13(9-15)17-14(18)12-5-3-4-11(8-12)10-16/h3-5,8,13H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyWGNYHULFLSQVSX-UHFFFAOYSA-N
XLogP2.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide
CID 114550316
(E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 115880739
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
3-cyano-N-(6-oxopiperidin-3-yl)benzamide
CID 62491080
2-[(3-cyanobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83210673
3-cyano-N-(1-methylcyclobutyl)benzamide
CID 115766115
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3,3-dimethylcyclopentyl)benzamide?
The IUPAC name of 3-cyano-N-(3,3-dimethylcyclopentyl)benzamide (CID 115880768) is 3-cyano-N-(3,3-dimethylcyclopentyl)benzamide.
What is the SMILES notation for 3-cyano-N-(3,3-dimethylcyclopentyl)benzamide?
The canonical SMILES for 3-cyano-N-(3,3-dimethylcyclopentyl)benzamide is CC1(C)CCC(NC(=O)c2cccc(C#N)c2)C1.
What is the InChIKey of 3-cyano-N-(3,3-dimethylcyclopentyl)benzamide?
The InChIKey is WGNYHULFLSQVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2)7-6-13(9-15)17-14(18)12-5-3-4-11(8-12)10-16/h3-5,8,13H,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 3-cyano-N-(3,3-dimethylcyclopentyl)benzamide?
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide has a molecular weight of 242.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3,3-dimethylcyclopentyl)benzamide is sourced from PubChem (CID 115880768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).