4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide

C15H13Br2NO — CID 107583817

IUPAC4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H13Br2NO/c1-9-5-12(16)8-13(6-9)18-15(19)11-3-4-14(17)10(2)7-11/h3-8H,1-2H3,(H,18,19)
InChIKeyGGZDBEKYHSWZME-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.08
Rot. Bonds2

About 4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide

4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide (PubChem CID 107583817) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
PubChem CID107583817
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H13Br2NO/c1-9-5-12(16)8-13(6-9)18-15(19)11-3-4-14(17)10(2)7-11/h3-8H,1-2H3,(H,18,19)
InChIKeyGGZDBEKYHSWZME-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

4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
CID 107583928
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
N-(3-bromo-5-methylphenyl)-3-iodobenzamide
CID 107583753
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide
CID 115769554
N-(3-bromo-5-methylphenyl)-4-nitrobenzamide
CID 104938740
N-(3-bromo-5-methylphenyl)-4-(propylamino)benzamide
CID 107578574
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide (CID 107583817) is 4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide is Cc1cc(Br)cc(NC(=O)c2ccc(Br)c(C)c2)c1.
What is the InChIKey of 4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide?
The InChIKey is GGZDBEKYHSWZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-9-5-12(16)8-13(6-9)18-15(19)11-3-4-14(17)10(2)7-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide?
4-bromo-N-(3-bromo-5-methylphenyl)-3-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 4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 107583817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).