[(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide

C14H19ClN2O — CID 10989222

IUPAC1-(3-chlorophenyl)-3-(cyclohexylmethyl)urea
SMILESC1CCC(CC1)CNC(=O)NC2=CC(=CC=C2)Cl
InChIInChI=1S/C14H19ClN2O/c15-12-7-4-8-13(9-12)17-14(18)16-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,16,17,18)
InChIKeyVVQOIWWCICBJCG-UHFFFAOYSA-N
MW266.76 g/mol
LogP3.90
Rot. Bonds3

About [(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide

[(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide (PubChem CID 10989222) has the molecular formula C14H19ClN2O and a molecular weight of 266.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(cyclohexylmethyl)urea.

Molecular Properties

Compound Name[(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide
PubChem CID10989222
Molecular FormulaC14H19ClN2O
Molecular Weight266.76 g/mol
Exact Mass266.12
IUPAC Name1-(3-chlorophenyl)-3-(cyclohexylmethyl)urea
SMILESC1CCC(CC1)CNC(=O)NC2=CC(=CC=C2)Cl
InChIInChI=1S/C14H19ClN2O/c15-12-7-4-8-13(9-12)17-14(18)16-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,16,17,18)
InChIKeyVVQOIWWCICBJCG-UHFFFAOYSA-N
XLogP3.90
TPSA41.10 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity267

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.76
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Monuron
CID 8800
Siduron
CID 16116
Pencycuron
CID 91692
Chlortoluron
CID 27375
Monomethylmonuron
CID 79309
1-(3-Chloro-4-methylphenyl)-3-methylurea
CID 30967
N'-(3-Chlorophenyl)-N,N-dimethylurea
CID 11480
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320
N-(3-Chlorophenyl)-N'-(4-chlorophenyl)urea
CID 791964
1-(4-Chlorophenyl)-3-cyclohexylurea
CID 238899
1-(3-Chlorophenyl)-3-phenylurea
CID 295366
N-(3-Chlorophenyl)-1-pyrrolidinecarboxamide
CID 765256

Frequently Asked Questions

What is the IUPAC name of [(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide?
The IUPAC name of [(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide (CID 10989222) is 1-(3-chlorophenyl)-3-(cyclohexylmethyl)urea.
What is the SMILES notation for [(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide?
The canonical SMILES for [(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide is C1CCC(CC1)CNC(=O)NC2=CC(=CC=C2)Cl.
What is the InChIKey of [(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide?
The InChIKey is VVQOIWWCICBJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-12-7-4-8-13(9-12)17-14(18)16-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H2,16,17,18).
What are the key properties of [(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide?
[(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide has a molecular weight of 266.76 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorophenyl)amino]-N-(cyclohexylmethyl)carboxamide is sourced from PubChem (CID 10989222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).