(2-bromo-4-chlorophenyl)urea

C7H6BrClN2O — CID 81003362

IUPAC(2-bromo-4-chlorophenyl)urea
SMILESNC(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C7H6BrClN2O/c8-5-3-4(9)1-2-6(5)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyWLEBGZUOEUMNTG-UHFFFAOYSA-N
MW249.50 g/mol
LogP2.59
Rot. Bonds1

About (2-bromo-4-chlorophenyl)urea

(2-bromo-4-chlorophenyl)urea (PubChem CID 81003362) has the molecular formula C7H6BrClN2O and a molecular weight of 249.50 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)urea.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)urea
PubChem CID81003362
Molecular FormulaC7H6BrClN2O
Molecular Weight249.50 g/mol
Exact Mass247.94
IUPAC Name(2-bromo-4-chlorophenyl)urea
SMILESNC(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C7H6BrClN2O/c8-5-3-4(9)1-2-6(5)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyWLEBGZUOEUMNTG-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
(2-bromo-4-fluorophenyl)urea
CID 28939155
N-(2-bromo-4-chlorophenyl)-3-chloropropanamide
CID 81264246
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 81264003
(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide
CID 81027410
6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
CID 81263613
(4-bromo-2-chlorophenyl)urea
CID 60759349
4-amino-N-(2-bromo-4-chlorophenyl)cyclopent-2-ene-1-carboxamide
CID 81263521
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
CID 81263873
5-amino-N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 102705790
N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)urea?
The IUPAC name of (2-bromo-4-chlorophenyl)urea (CID 81003362) is (2-bromo-4-chlorophenyl)urea.
What is the SMILES notation for (2-bromo-4-chlorophenyl)urea?
The canonical SMILES for (2-bromo-4-chlorophenyl)urea is NC(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)urea?
The InChIKey is WLEBGZUOEUMNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O/c8-5-3-4(9)1-2-6(5)11-7(10)12/h1-3H,(H3,10,11,12).
What are the key properties of (2-bromo-4-chlorophenyl)urea?
(2-bromo-4-chlorophenyl)urea has a molecular weight of 249.50 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)urea is sourced from PubChem (CID 81003362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).