3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide

C16H16BrNO — CID 2062628

IUPAC3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C)c2C)cc1Br
InChIInChI=1S/C16H16BrNO/c1-10-5-4-6-15(12(10)3)18-16(19)13-8-7-11(2)14(17)9-13/h4-9H,1-3H3,(H,18,19)
InChIKeySMCAXLZSTRBZDT-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.63
Rot. Bonds2

About 3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide

3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide (PubChem CID 2062628) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
PubChem CID2062628
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C)c2C)cc1Br
InChIInChI=1S/C16H16BrNO/c1-10-5-4-6-15(12(10)3)18-16(19)13-8-7-11(2)14(17)9-13/h4-9H,1-3H3,(H,18,19)
InChIKeySMCAXLZSTRBZDT-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
CID 103819269
N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953864
3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
3-bromo-N-[2-(1-bromoethyl)phenyl]-4-methylbenzamide
CID 114315561
3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide
CID 81459721
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692364

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide (CID 2062628) is 3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1Br.
What is the InChIKey of 3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide?
The InChIKey is SMCAXLZSTRBZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-5-4-6-15(12(10)3)18-16(19)13-8-7-11(2)14(17)9-13/h4-9H,1-3H3,(H,18,19).
What are the key properties of 3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide?
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide has a molecular weight of 318.21 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide is sourced from PubChem (CID 2062628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).