1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea

C13H11BrClN3O — CID 43544038

IUPAC1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea
SMILESNc1cc(Br)ccc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H11BrClN3O/c14-8-5-6-12(10(16)7-8)18-13(19)17-11-4-2-1-3-9(11)15/h1-7H,16H2,(H2,17,18,19)
InChIKeyKKFDMGGAUHUSCM-UHFFFAOYSA-N
MW340.61 g/mol
LogP4.33
Rot. Bonds2

About 1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea

1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea (PubChem CID 43544038) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea
PubChem CID43544038
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea
SMILESNc1cc(Br)ccc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H11BrClN3O/c14-8-5-6-12(10(16)7-8)18-13(19)17-11-4-2-1-3-9(11)15/h1-7H,16H2,(H2,17,18,19)
InChIKeyKKFDMGGAUHUSCM-UHFFFAOYSA-N
XLogP4.33
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid
CID 62074134
1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea
CID 43551461
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
(4-bromo-2-chlorophenyl)urea
CID 60759349
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16771122
1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea
CID 61292988
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(2-amino-4-bromophenyl)-3-(3-cyanophenyl)urea
CID 43132937
1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea
CID 169075145

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea?
The IUPAC name of 1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea (CID 43544038) is 1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea is Nc1cc(Br)ccc1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea?
The InChIKey is KKFDMGGAUHUSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-8-5-6-12(10(16)7-8)18-13(19)17-11-4-2-1-3-9(11)15/h1-7H,16H2,(H2,17,18,19).
What are the key properties of 1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea?
1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea has a molecular weight of 340.61 g/mol, XLogP of 4.33, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea is sourced from PubChem (CID 43544038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).