1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea

C13H9BrClFN2O — CID 897820

IUPAC1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H9BrClFN2O/c14-8-1-6-12(11(16)7-8)18-13(19)17-10-4-2-9(15)3-5-10/h1-7H,(H2,17,18,19)
InChIKeyHWOJFXQKUQJBPI-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.89
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea

1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea (PubChem CID 897820) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
PubChem CID897820
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H9BrClFN2O/c14-8-1-6-12(11(16)7-8)18-13(19)17-10-4-2-9(15)3-5-10/h1-7H,(H2,17,18,19)
InChIKeyHWOJFXQKUQJBPI-UHFFFAOYSA-N
XLogP4.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-2-fluorophenyl)-3-(4-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

1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
4-[(4-bromophenyl)carbamoylamino]-3-fluorobenzoic acid
CID 63190194
1-(3-aminophenyl)-3-(4-bromo-2-fluorophenyl)urea
CID 29283371
1-(4-chlorophenyl)-3-(4-fluoro-2-iodophenyl)urea
CID 79766072
1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
CID 17262139
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392821
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
CID 71295802

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea (CID 897820) is 1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea?
The InChIKey is HWOJFXQKUQJBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-8-1-6-12(11(16)7-8)18-13(19)17-10-4-2-9(15)3-5-10/h1-7H,(H2,17,18,19).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea?
1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea has a molecular weight of 343.58 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 897820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).