1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea

C16H17ClN2O2 — CID 727787

IUPAC1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-21-15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyOVFMMJNKICPJJH-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.71
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 727787) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID727787
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-21-15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyOVFMMJNKICPJJH-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]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-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea (CID 727787) is 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is OVFMMJNKICPJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 304.78 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 727787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).