4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide

C15H16ClFN2O — CID 61123792

IUPAC4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
SMILESN#CC(NC(=O)c1ccc(Cl)cc1F)C1CCCCC1
InChIInChI=1S/C15H16ClFN2O/c16-11-6-7-12(13(17)8-11)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5H2,(H,19,20)
InChIKeyLQHSHOJZLHHFMB-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.68
Rot. Bonds3

About 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide

4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide (PubChem CID 61123792) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
PubChem CID61123792
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
SMILESN#CC(NC(=O)c1ccc(Cl)cc1F)C1CCCCC1
InChIInChI=1S/C15H16ClFN2O/c16-11-6-7-12(13(17)8-11)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5H2,(H,19,20)
InChIKeyLQHSHOJZLHHFMB-UHFFFAOYSA-N
XLogP3.68
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide 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 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide (CID 61123792) is 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide is N#CC(NC(=O)c1ccc(Cl)cc1F)C1CCCCC1.
What is the InChIKey of 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide?
The InChIKey is LQHSHOJZLHHFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c16-11-6-7-12(13(17)8-11)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5H2,(H,19,20).
What are the key properties of 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide?
4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide has a molecular weight of 294.76 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 61123792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).