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

C22H21ClN2O2 — CID 155567078

IUPAC1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea
SMILESCOc1ccc(CCc2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H21ClN2O2/c1-27-21-13-7-16(8-14-21)5-6-17-3-2-4-20(15-17)25-22(26)24-19-11-9-18(23)10-12-19/h2-4,7-15H,5-6H2,1H3,(H2,24,25,26)
InChIKeyZRBWQTJAQXUBMX-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.78
Rot. Bonds6

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

1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea (PubChem CID 155567078) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea
PubChem CID155567078
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea
SMILESCOc1ccc(CCc2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H21ClN2O2/c1-27-21-13-7-16(8-14-21)5-6-17-3-2-4-20(15-17)25-22(26)24-19-11-9-18(23)10-12-19/h2-4,7-15H,5-6H2,1H3,(H2,24,25,26)
InChIKeyZRBWQTJAQXUBMX-UHFFFAOYSA-N
XLogP5.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]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-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea (CID 155567078) is 1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea is COc1ccc(CCc2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea?
The InChIKey is ZRBWQTJAQXUBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-27-21-13-7-16(8-14-21)5-6-17-3-2-4-20(15-17)25-22(26)24-19-11-9-18(23)10-12-19/h2-4,7-15H,5-6H2,1H3,(H2,24,25,26).
What are the key properties of 1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea?
1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea has a molecular weight of 380.88 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]phenyl]urea is sourced from PubChem (CID 155567078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).