3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide

C16H16BrNO — CID 104851827

IUPAC3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C16H16BrNO/c1-10-7-13(9-14(17)8-10)16(19)18-15-6-4-5-11(2)12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyGNSCAGGGFRQHCS-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.63
Rot. Bonds2

About 3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide

3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide (PubChem CID 104851827) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
PubChem CID104851827
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C16H16BrNO/c1-10-7-13(9-14(17)8-10)16(19)18-15-6-4-5-11(2)12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyGNSCAGGGFRQHCS-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-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 104851756
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
N-(3-acetamido-2-methylphenyl)-3,5-dimethylbenzamide
CID 39975965
2-[(3,5-dibromobenzoyl)amino]-6-methylbenzoic acid
CID 107971461
N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide
CID 115999651
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814224
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide (CID 104851827) is 3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of 3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide?
The InChIKey is GNSCAGGGFRQHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-7-13(9-14(17)8-10)16(19)18-15-6-4-5-11(2)12(15)3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide?
3-bromo-N-(2,3-dimethylphenyl)-5-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)-5-methylbenzamide is sourced from PubChem (CID 104851827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).