N-(4-bromo-3-methylphenyl)-2-phenylbutanamide

C17H18BrNO — CID 2905555

IUPACN-(4-bromo-3-methylphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-3-15(13-7-5-4-6-8-13)17(20)19-14-9-10-16(18)12(2)11-14/h4-11,15H,3H2,1-2H3,(H,19,20)
InChIKeyBNKGUOJOEHZNSN-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.89
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-phenylbutanamide

N-(4-bromo-3-methylphenyl)-2-phenylbutanamide (PubChem CID 2905555) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-phenylbutanamide
PubChem CID2905555
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-(4-bromo-3-methylphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-3-15(13-7-5-4-6-8-13)17(20)19-14-9-10-16(18)12(2)11-14/h4-11,15H,3H2,1-2H3,(H,19,20)
InChIKeyBNKGUOJOEHZNSN-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 95367609
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-phenylbutanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-phenylbutanamide (CID 2905555) is N-(4-bromo-3-methylphenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-phenylbutanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-phenylbutanamide is CCC(C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-phenylbutanamide?
The InChIKey is BNKGUOJOEHZNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-3-15(13-7-5-4-6-8-13)17(20)19-14-9-10-16(18)12(2)11-14/h4-11,15H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-phenylbutanamide?
N-(4-bromo-3-methylphenyl)-2-phenylbutanamide has a molecular weight of 332.24 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-phenylbutanamide is sourced from PubChem (CID 2905555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).