4-cyano-N-(3-methylcyclohexyl)benzamide

C15H18N2O — CID 43244094

IUPAC4-cyano-N-(3-methylcyclohexyl)benzamide
SMILESCC1CCCC(NC(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C15H18N2O/c1-11-3-2-4-14(9-11)17-15(18)13-7-5-12(10-16)6-8-13/h5-8,11,14H,2-4,9H2,1H3,(H,17,18)
InChIKeyRHJZUPGMJFBTQU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.87
Rot. Bonds2

About 4-cyano-N-(3-methylcyclohexyl)benzamide

4-cyano-N-(3-methylcyclohexyl)benzamide (PubChem CID 43244094) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-cyano-N-(3-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(3-methylcyclohexyl)benzamide
PubChem CID43244094
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-cyano-N-(3-methylcyclohexyl)benzamide
SMILESCC1CCCC(NC(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C15H18N2O/c1-11-3-2-4-14(9-11)17-15(18)13-7-5-12(10-16)6-8-13/h5-8,11,14H,2-4,9H2,1H3,(H,17,18)
InChIKeyRHJZUPGMJFBTQU-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

4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
CID 64724364
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-cyanobenzamide
CID 31679594
4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
CID 43317913
N-(3-methylcyclohexyl)-4-(propylamino)benzamide
CID 62169172
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
6-(methylamino)-N-(3-methylcyclohexyl)pyridine-3-carboxamide
CID 62168135
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
4-cyano-N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75279377
4-cyano-N-(3-ethoxycyclobutyl)benzamide
CID 102610611
4-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82729229

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-methylcyclohexyl)benzamide?
The IUPAC name of 4-cyano-N-(3-methylcyclohexyl)benzamide (CID 43244094) is 4-cyano-N-(3-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-cyano-N-(3-methylcyclohexyl)benzamide?
The canonical SMILES for 4-cyano-N-(3-methylcyclohexyl)benzamide is CC1CCCC(NC(=O)c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-cyano-N-(3-methylcyclohexyl)benzamide?
The InChIKey is RHJZUPGMJFBTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-3-2-4-14(9-11)17-15(18)13-7-5-12(10-16)6-8-13/h5-8,11,14H,2-4,9H2,1H3,(H,17,18).
What are the key properties of 4-cyano-N-(3-methylcyclohexyl)benzamide?
4-cyano-N-(3-methylcyclohexyl)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 4-cyano-N-(3-methylcyclohexyl)benzamide is sourced from PubChem (CID 43244094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).