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

C14H12BrClN2O — CID 103480099

IUPAC1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C14H12BrClN2O/c1-9-4-2-5-10(8-9)17-14(19)18-12-7-3-6-11(16)13(12)15/h2-8H,1H3,(H2,17,18,19)
InChIKeyZGMXARIGPVXNPX-UHFFFAOYSA-N
MW339.62 g/mol
LogP5.05
Rot. Bonds2

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

1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea (PubChem CID 103480099) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
PubChem CID103480099
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C14H12BrClN2O/c1-9-4-2-5-10(8-9)17-14(19)18-12-7-3-6-11(16)13(12)15/h2-8H,1H3,(H2,17,18,19)
InChIKeyZGMXARIGPVXNPX-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-3-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 103480109
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea
CID 103481256
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea
CID 17299431
1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
CID 4549529
N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 103479751
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
CID 108888004
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea (CID 103480099) is 1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2cccc(Cl)c2Br)c1.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea?
The InChIKey is ZGMXARIGPVXNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-9-4-2-5-10(8-9)17-14(19)18-12-7-3-6-11(16)13(12)15/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea?
1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)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-3-chlorophenyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 103480099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).