1-benzhydryl-3-(4-bromophenyl)urea

C20H17BrN2O — CID 598841

IUPAC1-benzhydryl-3-(4-bromophenyl)urea
SMILESO=C(Nc1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17BrN2O/c21-17-11-13-18(14-12-17)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,22,23,24)
InChIKeyIXYWUNGAYXMXFT-UHFFFAOYSA-N
MW381.27 g/mol
LogP5.36
Rot. Bonds4

About 1-benzhydryl-3-(4-bromophenyl)urea

1-benzhydryl-3-(4-bromophenyl)urea (PubChem CID 598841) has the molecular formula C20H17BrN2O and a molecular weight of 381.27 g/mol. Its IUPAC name is 1-benzhydryl-3-(4-bromophenyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(4-bromophenyl)urea
PubChem CID598841
Molecular FormulaC20H17BrN2O
Molecular Weight381.27 g/mol
Exact Mass380.05
IUPAC Name1-benzhydryl-3-(4-bromophenyl)urea
SMILESO=C(Nc1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17BrN2O/c21-17-11-13-18(14-12-17)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,22,23,24)
InChIKeyIXYWUNGAYXMXFT-UHFFFAOYSA-N
XLogP5.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-benzhydryl-3-(4-bromophenyl)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-benzhydryl-3-(4-bromophenyl)urea?
The IUPAC name of 1-benzhydryl-3-(4-bromophenyl)urea (CID 598841) is 1-benzhydryl-3-(4-bromophenyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(4-bromophenyl)urea?
The canonical SMILES for 1-benzhydryl-3-(4-bromophenyl)urea is O=C(Nc1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(4-bromophenyl)urea?
The InChIKey is IXYWUNGAYXMXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O/c21-17-11-13-18(14-12-17)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,22,23,24).
What are the key properties of 1-benzhydryl-3-(4-bromophenyl)urea?
1-benzhydryl-3-(4-bromophenyl)urea has a molecular weight of 381.27 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(4-bromophenyl)urea is sourced from PubChem (CID 598841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).