2-bromo-N-methyl-N-(2-phenylethyl)benzamide

C16H16BrNO — CID 60739770

IUPAC2-bromo-N-methyl-N-(2-phenylethyl)benzamide
SMILESCN(CCc1ccccc1)C(=O)c1ccccc1Br
InChIInChI=1S/C16H16BrNO/c1-18(12-11-13-7-3-2-4-8-13)16(19)14-9-5-6-10-15(14)17/h2-10H,11-12H2,1H3
InChIKeyZRCANJLLWFNDMQ-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.76
Rot. Bonds4

About 2-bromo-N-methyl-N-(2-phenylethyl)benzamide

2-bromo-N-methyl-N-(2-phenylethyl)benzamide (PubChem CID 60739770) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(2-phenylethyl)benzamide
PubChem CID60739770
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-bromo-N-methyl-N-(2-phenylethyl)benzamide
SMILESCN(CCc1ccccc1)C(=O)c1ccccc1Br
InChIInChI=1S/C16H16BrNO/c1-18(12-11-13-7-3-2-4-8-13)16(19)14-9-5-6-10-15(14)17/h2-10H,11-12H2,1H3
InChIKeyZRCANJLLWFNDMQ-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65488762
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
2-(ethylamino)-N-methyl-N-(2-phenylethyl)benzamide
CID 63108183
N,2,5-trimethyl-N-(2-phenylethyl)benzamide
CID 175917988
N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide
CID 107031339
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501
2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide
CID 61107981
3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide
CID 104852356
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
5-chloro-N-methyl-N-(2-phenylethyl)furan-2-carboxamide
CID 103612110
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide
CID 113055545

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-bromo-N-methyl-N-(2-phenylethyl)benzamide (CID 60739770) is 2-bromo-N-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-bromo-N-methyl-N-(2-phenylethyl)benzamide is CN(CCc1ccccc1)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is ZRCANJLLWFNDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-18(12-11-13-7-3-2-4-8-13)16(19)14-9-5-6-10-15(14)17/h2-10H,11-12H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(2-phenylethyl)benzamide?
2-bromo-N-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 318.21 g/mol, XLogP of 3.76, 4 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-(2-phenylethyl)benzamide is sourced from PubChem (CID 60739770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).