1-(2-bromoanilino)-3-(4-fluorophenyl)urea

C13H11BrFN3O — CID 17482426

IUPAC1-(2-bromoanilino)-3-(4-fluorophenyl)urea
SMILESO=C(NNc1ccccc1Br)Nc1ccc(F)cc1
InChIInChI=1S/C13H11BrFN3O/c14-11-3-1-2-4-12(11)17-18-13(19)16-10-7-5-9(15)6-8-10/h1-8,17H,(H2,16,18,19)
InChIKeyYGAXIXCTUMJLGC-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.74
Rot. Bonds3

About 1-(2-bromoanilino)-3-(4-fluorophenyl)urea

1-(2-bromoanilino)-3-(4-fluorophenyl)urea (PubChem CID 17482426) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is 1-(2-bromoanilino)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-bromoanilino)-3-(4-fluorophenyl)urea
PubChem CID17482426
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name1-(2-bromoanilino)-3-(4-fluorophenyl)urea
SMILESO=C(NNc1ccccc1Br)Nc1ccc(F)cc1
InChIInChI=1S/C13H11BrFN3O/c14-11-3-1-2-4-12(11)17-18-13(19)16-10-7-5-9(15)6-8-10/h1-8,17H,(H2,16,18,19)
InChIKeyYGAXIXCTUMJLGC-UHFFFAOYSA-N
XLogP3.74
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-bromoanilino)-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-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
1-(2-bromoanilino)-3-prop-2-enylurea
CID 19762168
1-(4-bromo-2,5-difluorophenyl)-3-(4-fluorophenyl)urea
CID 107612564
methyl N-[(4-fluorophenyl)carbamoylamino]carbamate
CID 24535891
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 61497811
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
3-bromo-2-[(4-fluorophenyl)carbamoylamino]benzoic acid
CID 63112803
1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea
CID 901022
1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea
CID 22011338
2-[2-[(4-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 90271537
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoanilino)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(2-bromoanilino)-3-(4-fluorophenyl)urea (CID 17482426) is 1-(2-bromoanilino)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(2-bromoanilino)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(2-bromoanilino)-3-(4-fluorophenyl)urea is O=C(NNc1ccccc1Br)Nc1ccc(F)cc1.
What is the InChIKey of 1-(2-bromoanilino)-3-(4-fluorophenyl)urea?
The InChIKey is YGAXIXCTUMJLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c14-11-3-1-2-4-12(11)17-18-13(19)16-10-7-5-9(15)6-8-10/h1-8,17H,(H2,16,18,19).
What are the key properties of 1-(2-bromoanilino)-3-(4-fluorophenyl)urea?
1-(2-bromoanilino)-3-(4-fluorophenyl)urea has a molecular weight of 324.15 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoanilino)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 17482426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).