1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea

C14H13BrClN3O — CID 43551461

IUPAC1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea
SMILESCc1cc(Br)cc(N)c1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H13BrClN3O/c1-8-6-9(15)7-11(17)13(8)19-14(20)18-12-5-3-2-4-10(12)16/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeySCDNGEIWIMKUSV-UHFFFAOYSA-N
MW354.64 g/mol
LogP4.64
Rot. Bonds2

About 1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea

1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea (PubChem CID 43551461) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea
PubChem CID43551461
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea
SMILESCc1cc(Br)cc(N)c1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H13BrClN3O/c1-8-6-9(15)7-11(17)13(8)19-14(20)18-12-5-3-2-4-10(12)16/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeySCDNGEIWIMKUSV-UHFFFAOYSA-N
XLogP4.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 54.64
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

1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea
CID 43544038
1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea
CID 61292988
N-(2-amino-4-bromo-6-methylphenyl)-2,4-dichlorobenzamide
CID 43549936
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea
CID 169075145
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-(2-chlorophenyl)-3-(4-ethyl-2-methylphenyl)urea
CID 71013489
N-(2-amino-4-bromo-6-methylphenyl)-6-methylpyridine-2-carboxamide
CID 43550019
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea?
The IUPAC name of 1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea (CID 43551461) is 1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea is Cc1cc(Br)cc(N)c1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea?
The InChIKey is SCDNGEIWIMKUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-8-6-9(15)7-11(17)13(8)19-14(20)18-12-5-3-2-4-10(12)16/h2-7H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea?
1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea has a molecular weight of 354.64 g/mol, XLogP of 4.64, 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-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea is sourced from PubChem (CID 43551461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).