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

C14H12BrClN2O — CID 4549529

IUPAC1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(Cl)c2)c(Br)c1
InChIInChI=1S/C14H12BrClN2O/c1-9-5-6-13(12(15)7-9)18-14(19)17-11-4-2-3-10(16)8-11/h2-8H,1H3,(H2,17,18,19)
InChIKeySYQWLXWAGZAKED-UHFFFAOYSA-N
MW339.62 g/mol
LogP5.05
Rot. Bonds2

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

1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea (PubChem CID 4549529) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
PubChem CID4549529
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(Cl)c2)c(Br)c1
InChIInChI=1S/C14H12BrClN2O/c1-9-5-6-13(12(15)7-9)18-14(19)17-11-4-2-3-10(16)8-11/h2-8H,1H3,(H2,17,18,19)
InChIKeySYQWLXWAGZAKED-UHFFFAOYSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.62
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
1-(2-bromo-4-methylphenyl)-3-(3-cyanophenyl)urea
CID 43132948
1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea
CID 19187569
1-(2-bromo-4-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 81003505
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
CID 103480099
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955213
1-(5-amino-2-bromo-4-methylphenyl)-3-(3-methylphenyl)urea
CID 104814730

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea (CID 4549529) is 1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea is Cc1ccc(NC(=O)Nc2cccc(Cl)c2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea?
The InChIKey is SYQWLXWAGZAKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-9-5-6-13(12(15)7-9)18-14(19)17-11-4-2-3-10(16)8-11/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea?
1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea has a molecular weight of 339.62 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 4549529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).