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

C21H19ClN2O — CID 155436724

IUPAC1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
SMILESO=C(NCCc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O/c22-19-10-12-20(13-11-19)24-21(25)23-15-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,23,24,25)
InChIKeyLJYVWFBJGAQXNJ-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.37
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea (PubChem CID 155436724) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
PubChem CID155436724
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
SMILESO=C(NCCc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O/c22-19-10-12-20(13-11-19)24-21(25)23-15-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,23,24,25)
InChIKeyLJYVWFBJGAQXNJ-UHFFFAOYSA-N
XLogP5.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)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

Related Compounds

1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
CID 108891822
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
1-(4-chlorophenyl)-3-[2-(4-cyanophenyl)ethyl]urea
CID 155436717
1-amino-3-[2-(4-phenylphenyl)ethyl]urea
CID 115192894
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea
CID 22506194
1-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812827
1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654760
1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 108868699

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea (CID 155436724) is 1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea is O=C(NCCc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea?
The InChIKey is LJYVWFBJGAQXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c22-19-10-12-20(13-11-19)24-21(25)23-15-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,23,24,25).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea has a molecular weight of 350.85 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea is sourced from PubChem (CID 155436724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).