1-(3-chloro-4-methylphenyl)-3-cyclohexylurea

C14H19ClN2O — CID 742744

IUPAC1-(3-chloro-4-methylphenyl)-3-cyclohexylurea
SMILESCc1ccc(NC(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-7-8-12(9-13(10)15)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18)
InChIKeyQWDCGWKYKUJJJY-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.10
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-cyclohexylurea

1-(3-chloro-4-methylphenyl)-3-cyclohexylurea (PubChem CID 742744) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-cyclohexylurea
PubChem CID742744
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(3-chloro-4-methylphenyl)-3-cyclohexylurea
SMILESCc1ccc(NC(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-7-8-12(9-13(10)15)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18)
InChIKeyQWDCGWKYKUJJJY-UHFFFAOYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-4-methylphenyl)-3-cyclohexylurea 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

Pencycuron
CID 91692
Chlortoluron
CID 27375
1-(3-Chloro-4-methylphenyl)-3-methylurea
CID 30967
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320
1-(4-Chlorophenyl)-3-cyclohexylurea
CID 238899
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
3-(3-Chlorophenyl)-1-ethyl-1-phenylurea
CID 294985
N-(4-Chlorobenzyl)-N'-phenylurea
CID 4150009
1-(4-Chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(3-Chloro-para-tolyl)-urea
CID 25741
1-Benzyl-3-(2,5-dichlorophenyl)urea
CID 234245
1-(2-Chloroethyl)-3-(p-tolyl)urea
CID 265059

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-cyclohexylurea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-cyclohexylurea (CID 742744) is 1-(3-chloro-4-methylphenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-cyclohexylurea is Cc1ccc(NC(=O)NC2CCCCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-cyclohexylurea?
The InChIKey is QWDCGWKYKUJJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-7-8-12(9-13(10)15)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-cyclohexylurea?
1-(3-chloro-4-methylphenyl)-3-cyclohexylurea has a molecular weight of 266.77 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-cyclohexylurea is sourced from PubChem (CID 742744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).