3-chloro-N-[cyano(cyclohexyl)methyl]benzamide

C15H17ClN2O — CID 61119808

IUPAC3-chloro-N-[cyano(cyclohexyl)methyl]benzamide
SMILESN#CC(NC(=O)c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H17ClN2O/c16-13-8-4-7-12(9-13)15(19)18-14(10-17)11-5-2-1-3-6-11/h4,7-9,11,14H,1-3,5-6H2,(H,18,19)
InChIKeySPEQYTUPFBTXHC-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.54
Rot. Bonds3

About 3-chloro-N-[cyano(cyclohexyl)methyl]benzamide

3-chloro-N-[cyano(cyclohexyl)methyl]benzamide (PubChem CID 61119808) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-chloro-N-[cyano(cyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[cyano(cyclohexyl)methyl]benzamide
PubChem CID61119808
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name3-chloro-N-[cyano(cyclohexyl)methyl]benzamide
SMILESN#CC(NC(=O)c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H17ClN2O/c16-13-8-4-7-12(9-13)15(19)18-14(10-17)11-5-2-1-3-6-11/h4,7-9,11,14H,1-3,5-6H2,(H,18,19)
InChIKeySPEQYTUPFBTXHC-UHFFFAOYSA-N
XLogP3.54
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-[cyano(cyclohexyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[cyano(cyclohexyl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[cyano(cyclohexyl)methyl]benzamide (CID 61119808) is 3-chloro-N-[cyano(cyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[cyano(cyclohexyl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[cyano(cyclohexyl)methyl]benzamide is N#CC(NC(=O)c1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of 3-chloro-N-[cyano(cyclohexyl)methyl]benzamide?
The InChIKey is SPEQYTUPFBTXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-13-8-4-7-12(9-13)15(19)18-14(10-17)11-5-2-1-3-6-11/h4,7-9,11,14H,1-3,5-6H2,(H,18,19).
What are the key properties of 3-chloro-N-[cyano(cyclohexyl)methyl]benzamide?
3-chloro-N-[cyano(cyclohexyl)methyl]benzamide has a molecular weight of 276.77 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[cyano(cyclohexyl)methyl]benzamide is sourced from PubChem (CID 61119808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).