1-benzyl-3-(2-bromo-5-chlorophenyl)urea

C14H12BrClN2O — CID 103786178

IUPAC1-benzyl-3-(2-bromo-5-chlorophenyl)urea
SMILESO=C(NCc1ccccc1)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C14H12BrClN2O/c15-12-7-6-11(16)8-13(12)18-14(19)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18,19)
InChIKeyIXKBHBKWEOEMQY-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.42
Rot. Bonds3

About 1-benzyl-3-(2-bromo-5-chlorophenyl)urea

1-benzyl-3-(2-bromo-5-chlorophenyl)urea (PubChem CID 103786178) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-benzyl-3-(2-bromo-5-chlorophenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-bromo-5-chlorophenyl)urea
PubChem CID103786178
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name1-benzyl-3-(2-bromo-5-chlorophenyl)urea
SMILESO=C(NCc1ccccc1)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C14H12BrClN2O/c15-12-7-6-11(16)8-13(12)18-14(19)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18,19)
InChIKeyIXKBHBKWEOEMQY-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-3-(2-bromo-5-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

Related Compounds

3-(benzylcarbamoylamino)-4-bromobenzoic acid
CID 107812654
1-[[(2-bromo-5-chlorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312626
1-benzyl-3-(5-bromo-2-fluorophenyl)urea
CID 103658658
(2S)-3-[(2-bromo-5-chlorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107840607
2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide
CID 81270389
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea
CID 15645616
N-(2-bromo-5-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 114038606
N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide
CID 81271695
1-(2-aminophenyl)-3-benzylurea
CID 86135193
1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 47195659

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-bromo-5-chlorophenyl)urea?
The IUPAC name of 1-benzyl-3-(2-bromo-5-chlorophenyl)urea (CID 103786178) is 1-benzyl-3-(2-bromo-5-chlorophenyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-bromo-5-chlorophenyl)urea?
The canonical SMILES for 1-benzyl-3-(2-bromo-5-chlorophenyl)urea is O=C(NCc1ccccc1)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 1-benzyl-3-(2-bromo-5-chlorophenyl)urea?
The InChIKey is IXKBHBKWEOEMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c15-12-7-6-11(16)8-13(12)18-14(19)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(2-bromo-5-chlorophenyl)urea?
1-benzyl-3-(2-bromo-5-chlorophenyl)urea has a molecular weight of 339.62 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-bromo-5-chlorophenyl)urea is sourced from PubChem (CID 103786178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).