1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea

C14H12Cl2N2O2 — CID 3753055

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-13-6-5-10(16)8-12(13)18-14(19)17-11-4-2-3-9(15)7-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyRWJMFVKTBCCTAR-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.65
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea (PubChem CID 3753055) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea
PubChem CID3753055
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-13-6-5-10(16)8-12(13)18-14(19)17-11-4-2-3-9(15)7-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyRWJMFVKTBCCTAR-UHFFFAOYSA-N
XLogP4.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)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-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea (CID 3753055) is 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea is COc1ccc(Cl)cc1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea?
The InChIKey is RWJMFVKTBCCTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-20-13-6-5-10(16)8-12(13)18-14(19)17-11-4-2-3-9(15)7-11/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea has a molecular weight of 311.17 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 3753055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).