(2-bromo-5-chloro-4-fluorophenyl)urea

C7H5BrClFN2O — CID 68537321

IUPAC(2-bromo-5-chloro-4-fluorophenyl)urea
SMILESNC(=O)Nc1cc(Cl)c(F)cc1Br
InChIInChI=1S/C7H5BrClFN2O/c8-3-1-5(10)4(9)2-6(3)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKeyKLGQYYSOZLNWOH-UHFFFAOYSA-N
MW267.49 g/mol
LogP2.73
Rot. Bonds1

About (2-bromo-5-chloro-4-fluorophenyl)urea

(2-bromo-5-chloro-4-fluorophenyl)urea (PubChem CID 68537321) has the molecular formula C7H5BrClFN2O and a molecular weight of 267.49 g/mol. Its IUPAC name is (2-bromo-5-chloro-4-fluorophenyl)urea.

Molecular Properties

Compound Name(2-bromo-5-chloro-4-fluorophenyl)urea
PubChem CID68537321
Molecular FormulaC7H5BrClFN2O
Molecular Weight267.49 g/mol
Exact Mass265.93
IUPAC Name(2-bromo-5-chloro-4-fluorophenyl)urea
SMILESNC(=O)Nc1cc(Cl)c(F)cc1Br
InChIInChI=1S/C7H5BrClFN2O/c8-3-1-5(10)4(9)2-6(3)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKeyKLGQYYSOZLNWOH-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (2-bromo-5-chloro-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

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chloro-4-fluorophenyl)urea?
The IUPAC name of (2-bromo-5-chloro-4-fluorophenyl)urea (CID 68537321) is (2-bromo-5-chloro-4-fluorophenyl)urea.
What is the SMILES notation for (2-bromo-5-chloro-4-fluorophenyl)urea?
The canonical SMILES for (2-bromo-5-chloro-4-fluorophenyl)urea is NC(=O)Nc1cc(Cl)c(F)cc1Br.
What is the InChIKey of (2-bromo-5-chloro-4-fluorophenyl)urea?
The InChIKey is KLGQYYSOZLNWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFN2O/c8-3-1-5(10)4(9)2-6(3)12-7(11)13/h1-2H,(H3,11,12,13).
What are the key properties of (2-bromo-5-chloro-4-fluorophenyl)urea?
(2-bromo-5-chloro-4-fluorophenyl)urea has a molecular weight of 267.49 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chloro-4-fluorophenyl)urea is sourced from PubChem (CID 68537321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).