1-benzyl-3-(5-chloro-2-methylphenyl)urea

C15H15ClN2O — CID 5069328

IUPAC1-benzyl-3-(5-chloro-2-methylphenyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)NCc1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-11-7-8-13(16)9-14(11)18-15(19)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyOYUSEAURFKRCQH-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.97
Rot. Bonds3

About 1-benzyl-3-(5-chloro-2-methylphenyl)urea

1-benzyl-3-(5-chloro-2-methylphenyl)urea (PubChem CID 5069328) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-benzyl-3-(5-chloro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(5-chloro-2-methylphenyl)urea
PubChem CID5069328
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-benzyl-3-(5-chloro-2-methylphenyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)NCc1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-11-7-8-13(16)9-14(11)18-15(19)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyOYUSEAURFKRCQH-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-3-(5-chloro-2-methylphenyl)urea 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 1-benzyl-3-(5-chloro-2-methylphenyl)urea?
The IUPAC name of 1-benzyl-3-(5-chloro-2-methylphenyl)urea (CID 5069328) is 1-benzyl-3-(5-chloro-2-methylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(5-chloro-2-methylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(5-chloro-2-methylphenyl)urea is Cc1ccc(Cl)cc1NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(5-chloro-2-methylphenyl)urea?
The InChIKey is OYUSEAURFKRCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-7-8-13(16)9-14(11)18-15(19)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(5-chloro-2-methylphenyl)urea?
1-benzyl-3-(5-chloro-2-methylphenyl)urea has a molecular weight of 274.75 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-chloro-2-methylphenyl)urea is sourced from PubChem (CID 5069328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).