3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide

C17H18BrNO — CID 104852356

IUPAC3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide
SMILESCc1cc(Br)cc(C(=O)N(C)CCc2ccccc2)c1
InChIInChI=1S/C17H18BrNO/c1-13-10-15(12-16(18)11-13)17(20)19(2)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3
InChIKeyVIWYIQQWRHODQP-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.07
Rot. Bonds4

About 3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide

3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide (PubChem CID 104852356) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide
PubChem CID104852356
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide
SMILESCc1cc(Br)cc(C(=O)N(C)CCc2ccccc2)c1
InChIInChI=1S/C17H18BrNO/c1-13-10-15(12-16(18)11-13)17(20)19(2)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3
InChIKeyVIWYIQQWRHODQP-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide
CID 103826656
3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
CID 104852714
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
N-[(3-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560
3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104851856
N,2,5-trimethyl-N-(2-phenylethyl)benzamide
CID 175917988
2-bromo-N-methyl-N-(2-phenylethyl)benzamide
CID 60739770
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 113460696
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
CID 113460748

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide (CID 104852356) is 3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide is Cc1cc(Br)cc(C(=O)N(C)CCc2ccccc2)c1.
What is the InChIKey of 3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide?
The InChIKey is VIWYIQQWRHODQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-13-10-15(12-16(18)11-13)17(20)19(2)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide?
3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide has a molecular weight of 332.24 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 104852356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).