1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea

C14H9BrF4N2O — CID 2810424

IUPAC1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF4N2O/c15-12-6-5-10(7-11(12)14(17,18)19)21-13(22)20-9-3-1-8(16)2-4-9/h1-7H,(H2,20,21,22)
InChIKeyUCBXFYUXJKITGU-UHFFFAOYSA-N
MW377.14 g/mol
LogP5.25
Rot. Bonds2

About 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea

1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea (PubChem CID 2810424) has the molecular formula C14H9BrF4N2O and a molecular weight of 377.14 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
PubChem CID2810424
Molecular FormulaC14H9BrF4N2O
Molecular Weight377.14 g/mol
Exact Mass375.98
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF4N2O/c15-12-6-5-10(7-11(12)14(17,18)19)21-13(22)20-9-3-1-8(16)2-4-9/h1-7H,(H2,20,21,22)
InChIKeyUCBXFYUXJKITGU-UHFFFAOYSA-N
XLogP5.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.14
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)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-Phenyl-3-(3-(trifluoromethyl)phenyl)urea
CID 265996
N,N'-Di-(m-trifluoromethylphenyl)urea
CID 136250
1-(4-Bromophenyl)-3-phenylurea
CID 598833
1-(4-Bromo-2-fluorophenyl)-3-phenylurea
CID 897521
N-(4-Bromo-3-(trifluoromethyl)phenyl)acetamide
CID 697838
1-(2-Bromo-4-methylphenyl)-3-(3-methylphenyl)urea
CID 1225240
N-(4''-bromo-3,3''-difluoro-4-biphenylyl)urea
CID 11595053
1-[4-(Trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)urea
CID 71568397
1,3-Bis[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 140307285
1-(3-Bromo-5-(trifluoromethyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 164946936
1-(4-Fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727812
1-Benzyl-3-(4-bromophenyl)urea
CID 4569723

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea (CID 2810424) is 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea?
The InChIKey is UCBXFYUXJKITGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4N2O/c15-12-6-5-10(7-11(12)14(17,18)19)21-13(22)20-9-3-1-8(16)2-4-9/h1-7H,(H2,20,21,22).
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea?
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea has a molecular weight of 377.14 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 2810424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).