1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea

C16H17BrN2O — CID 108991303

IUPAC1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)cc2Br)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-10-4-6-14(12(3)8-10)18-16(20)19-15-7-5-11(2)9-13(15)17/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyRAUUQKXOFMIHSN-UHFFFAOYSA-N
MW333.23 g/mol
LogP5.02
Rot. Bonds2

About 1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea

1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea (PubChem CID 108991303) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
PubChem CID108991303
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)cc2Br)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-10-4-6-14(12(3)8-10)18-16(20)19-15-7-5-11(2)9-13(15)17/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyRAUUQKXOFMIHSN-UHFFFAOYSA-N
XLogP5.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.23
LogP ≤ 55.02
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-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655
1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea
CID 108872887
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955213
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
CID 4549529
1-[(2-bromophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 108897860
methyl 4-[(2-bromo-4-methylphenyl)carbamoylamino]benzoate
CID 108992383
1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886354

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea (CID 108991303) is 1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(C)cc2Br)c(C)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea?
The InChIKey is RAUUQKXOFMIHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10-4-6-14(12(3)8-10)18-16(20)19-15-7-5-11(2)9-13(15)17/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea?
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea has a molecular weight of 333.23 g/mol, XLogP of 5.02, 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-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 108991303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).