1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea

C16H17BrN2O — CID 108991373

IUPAC1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C16H17BrN2O/c1-10-4-5-15(14(17)9-10)19-16(20)18-13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyFCYSSFMQBLZBRZ-UHFFFAOYSA-N
MW333.23 g/mol
LogP5.02
Rot. Bonds2

About 1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea

1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea (PubChem CID 108991373) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
PubChem CID108991373
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C16H17BrN2O/c1-10-4-5-15(14(17)9-10)19-16(20)18-13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyFCYSSFMQBLZBRZ-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-(2,4-dimethylphenyl)urea
CID 108991303
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655
1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866764
1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
CID 43551396
1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
CID 4549529
methyl 4-[(2-bromo-4-methylphenyl)carbamoylamino]benzoate
CID 108992383
1-(2-bromo-4-methylphenyl)-3-(3-cyanophenyl)urea
CID 43132948
1-(2-bromo-4-methylphenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992513
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778328

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea (CID 108991373) is 1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)Nc2ccc(C)cc2Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea?
The InChIKey is FCYSSFMQBLZBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10-4-5-15(14(17)9-10)19-16(20)18-13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea?
1-(2-bromo-4-methylphenyl)-3-(3,5-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-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 108991373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).