3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide

C15H13Br2NO — CID 81471558

IUPAC3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1Br
InChIInChI=1S/C15H13Br2NO/c1-9-3-5-11(7-13(9)16)15(19)18-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyVLCUWGHGTFHUFC-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.08
Rot. Bonds2

About 3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide

3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide (PubChem CID 81471558) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
PubChem CID81471558
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1Br
InChIInChI=1S/C15H13Br2NO/c1-9-3-5-11(7-13(9)16)15(19)18-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyVLCUWGHGTFHUFC-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
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CID 107703359
3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340213
3-bromo-4-methyl-N-(4-propylphenyl)benzamide
CID 81472098
N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide
CID 60730289
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide
CID 17204543
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
CID 55027767
N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide
CID 4509095

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide (CID 81471558) is 3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide is Cc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1Br.
What is the InChIKey of 3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide?
The InChIKey is VLCUWGHGTFHUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-9-3-5-11(7-13(9)16)15(19)18-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide?
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide has a molecular weight of 383.08 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 81471558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).