N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide

C16H16BrNO — CID 113230260

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

About N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide

N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide (PubChem CID 113230260) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide
PubChem CID113230260
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cccc(Br)c2C)c1
InChIInChI=1S/C16H16BrNO/c1-10-7-8-11(2)13(9-10)16(19)18-15-6-4-5-14(17)12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyQQKZKBDTXFNTJK-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

2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81002497
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
N-(3-bromo-2-methylphenyl)-4-(ethylamino)-2-methylbenzamide
CID 107631086
N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104580024
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857
N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
CID 113341710
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
CID 107640531
N-(3-bromo-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 113230237

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide (CID 113230260) is N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2cccc(Br)c2C)c1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide?
The InChIKey is QQKZKBDTXFNTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-7-8-11(2)13(9-10)16(19)18-15-6-4-5-14(17)12(15)3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide?
N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide 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 N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 113230260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).