(4-bromo-2-chlorophenyl)urea

C7H6BrClN2O — CID 60759349

IUPAC(4-bromo-2-chlorophenyl)urea
SMILESNC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C7H6BrClN2O/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyIHGXHVMFCPIRGO-UHFFFAOYSA-N
MW249.50 g/mol
LogP2.59
Rot. Bonds1

About (4-bromo-2-chlorophenyl)urea

(4-bromo-2-chlorophenyl)urea (PubChem CID 60759349) has the molecular formula C7H6BrClN2O and a molecular weight of 249.50 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)urea.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)urea
PubChem CID60759349
Molecular FormulaC7H6BrClN2O
Molecular Weight249.50 g/mol
Exact Mass247.94
IUPAC Name(4-bromo-2-chlorophenyl)urea
SMILESNC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C7H6BrClN2O/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyIHGXHVMFCPIRGO-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

(4-bromo-2-chlorophenyl)thiourea
CID 43168183
1-(4-bromo-2-chlorophenyl)-3-methylurea
CID 21161446
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
methyl 2-(4-bromo-2-chloroanilino)-2-oxoacetate
CID 112683071
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
(4-carbamothioyl-2-chlorophenyl)urea
CID 107808654
N-(4-bromo-2-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62167689
3-(4-bromo-2-chloroanilino)propanamide
CID 43347354

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)urea?
The IUPAC name of (4-bromo-2-chlorophenyl)urea (CID 60759349) is (4-bromo-2-chlorophenyl)urea.
What is the SMILES notation for (4-bromo-2-chlorophenyl)urea?
The canonical SMILES for (4-bromo-2-chlorophenyl)urea is NC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)urea?
The InChIKey is IHGXHVMFCPIRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12).
What are the key properties of (4-bromo-2-chlorophenyl)urea?
(4-bromo-2-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 (4-bromo-2-chlorophenyl)urea is sourced from PubChem (CID 60759349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).