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

C16H16BrNO — CID 103852657

IUPAC2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
SMILESCc1cccc(NC(=O)c2cccc(C)c2Br)c1C
InChIInChI=1S/C16H16BrNO/c1-10-6-5-9-14(12(10)3)18-16(19)13-8-4-7-11(2)15(13)17/h4-9H,1-3H3,(H,18,19)
InChIKeyZQGRKNPSIWZJMW-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.63
Rot. Bonds2

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

2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide (PubChem CID 103852657) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
PubChem CID103852657
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
SMILESCc1cccc(NC(=O)c2cccc(C)c2Br)c1C
InChIInChI=1S/C16H16BrNO/c1-10-6-5-9-14(12(10)3)18-16(19)13-8-4-7-11(2)15(13)17/h4-9H,1-3H3,(H,18,19)
InChIKeyZQGRKNPSIWZJMW-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

2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
CID 103857096
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081
2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917
2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 103857092
N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
CID 113368793
2-bromo-N-(2,3-dimethylphenyl)-5-sulfanylbenzamide
CID 107021458
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
CID 103855381
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide (CID 103852657) is 2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide is Cc1cccc(NC(=O)c2cccc(C)c2Br)c1C.
What is the InChIKey of 2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide?
The InChIKey is ZQGRKNPSIWZJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-6-5-9-14(12(10)3)18-16(19)13-8-4-7-11(2)15(13)17/h4-9H,1-3H3,(H,18,19).
What are the key properties of 2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide?
2-bromo-N-(2,3-dimethylphenyl)-3-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 2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide is sourced from PubChem (CID 103852657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).