4-cyano-N-(cyclohexylmethyl)benzamide

C15H18N2O — CID 2460784

IUPAC4-cyano-N-(cyclohexylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C15H18N2O/c16-10-12-6-8-14(9-7-12)15(18)17-11-13-4-2-1-3-5-13/h6-9,13H,1-5,11H2,(H,17,18)
InChIKeyICDUXBOPCSBNLH-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.87
Rot. Bonds3

About 4-cyano-N-(cyclohexylmethyl)benzamide

4-cyano-N-(cyclohexylmethyl)benzamide (PubChem CID 2460784) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-cyano-N-(cyclohexylmethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(cyclohexylmethyl)benzamide
PubChem CID2460784
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-cyano-N-(cyclohexylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C15H18N2O/c16-10-12-6-8-14(9-7-12)15(18)17-11-13-4-2-1-3-5-13/h6-9,13H,1-5,11H2,(H,17,18)
InChIKeyICDUXBOPCSBNLH-UHFFFAOYSA-N
XLogP2.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(cyclohexylmethyl)benzamide?
The IUPAC name of 4-cyano-N-(cyclohexylmethyl)benzamide (CID 2460784) is 4-cyano-N-(cyclohexylmethyl)benzamide.
What is the SMILES notation for 4-cyano-N-(cyclohexylmethyl)benzamide?
The canonical SMILES for 4-cyano-N-(cyclohexylmethyl)benzamide is N#Cc1ccc(C(=O)NCC2CCCCC2)cc1.
What is the InChIKey of 4-cyano-N-(cyclohexylmethyl)benzamide?
The InChIKey is ICDUXBOPCSBNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-10-12-6-8-14(9-7-12)15(18)17-11-13-4-2-1-3-5-13/h6-9,13H,1-5,11H2,(H,17,18).
What are the key properties of 4-cyano-N-(cyclohexylmethyl)benzamide?
4-cyano-N-(cyclohexylmethyl)benzamide has a molecular weight of 242.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(cyclohexylmethyl)benzamide is sourced from PubChem (CID 2460784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).