2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide

C19H22BrNO2 — CID 46447047

IUPAC2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(c2ccccc2)C(C)C)c1
InChIInChI=1S/C19H22BrNO2/c1-13(2)17(14-7-5-4-6-8-14)12-21-19(22)16-11-15(23-3)9-10-18(16)20/h4-11,13,17H,12H2,1-3H3,(H,21,22)
InChIKeyBGZUBSOQMBWGDG-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.63
Rot. Bonds6

About 2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide

2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide (PubChem CID 46447047) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
PubChem CID46447047
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(c2ccccc2)C(C)C)c1
InChIInChI=1S/C19H22BrNO2/c1-13(2)17(14-7-5-4-6-8-14)12-21-19(22)16-11-15(23-3)9-10-18(16)20/h4-11,13,17H,12H2,1-3H3,(H,21,22)
InChIKeyBGZUBSOQMBWGDG-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide
CID 99872851
2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide
CID 114300077
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150
2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide
CID 95367204
3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441342
2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35046513
2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide
CID 107157131
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide
CID 113276353

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide (CID 46447047) is 2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide is COc1ccc(Br)c(C(=O)NCC(c2ccccc2)C(C)C)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide?
The InChIKey is BGZUBSOQMBWGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-13(2)17(14-7-5-4-6-8-14)12-21-19(22)16-11-15(23-3)9-10-18(16)20/h4-11,13,17H,12H2,1-3H3,(H,21,22).
What are the key properties of 2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide?
2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide has a molecular weight of 376.29 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide is sourced from PubChem (CID 46447047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).