2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide

C16H16BrNO — CID 28799501

IUPAC2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H16BrNO/c1-12-7-9-13(10-8-12)11-18(2)16(19)14-5-3-4-6-15(14)17/h3-10H,11H2,1-2H3
InChIKeyAKRFIIASXYLHPB-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.03
Rot. Bonds3

About 2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide

2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 28799501) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
PubChem CID28799501
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H16BrNO/c1-12-7-9-13(10-8-12)11-18(2)16(19)14-5-3-4-6-15(14)17/h3-10H,11H2,1-2H3
InChIKeyAKRFIIASXYLHPB-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
2-amino-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 28798437
2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
CID 113237231
2-bromo-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095826
2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 55358384
2-bromo-N-methyl-N-(2-phenylethyl)benzamide
CID 60739770
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 78906458
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide (CID 28799501) is 2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is AKRFIIASXYLHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-12-7-9-13(10-8-12)11-18(2)16(19)14-5-3-4-6-15(14)17/h3-10H,11H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 318.21 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 28799501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).