2-bromo-3-methyl-N-(4-phenylphenyl)butanamide

C17H18BrNO — CID 43244711

IUPAC2-bromo-3-methyl-N-(4-phenylphenyl)butanamide
SMILESCC(C)C(Br)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18BrNO/c1-12(2)16(18)17(20)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3,(H,19,20)
InChIKeyXSSQBRQNJVKVDA-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.71
Rot. Bonds4

About 2-bromo-3-methyl-N-(4-phenylphenyl)butanamide

2-bromo-3-methyl-N-(4-phenylphenyl)butanamide (PubChem CID 43244711) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(4-phenylphenyl)butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(4-phenylphenyl)butanamide
PubChem CID43244711
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-bromo-3-methyl-N-(4-phenylphenyl)butanamide
SMILESCC(C)C(Br)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18BrNO/c1-12(2)16(18)17(20)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3,(H,19,20)
InChIKeyXSSQBRQNJVKVDA-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-3-methyl-N-(4-phenylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-3-methyl-N-(4-methylphenyl)butanamide
CID 24690960
methyl 4-[(2-bromo-3-methylbutanoyl)amino]benzoate
CID 43346448
2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide
CID 143478445
N-(4-phenylphenyl)acetamide
CID 19998
(2R)-2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide
CID 7079963
2-bromo-N-(3-bromophenyl)-3-methylbutanamide
CID 24698066
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide
CID 43701031
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
CID 116675538

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(4-phenylphenyl)butanamide?
The IUPAC name of 2-bromo-3-methyl-N-(4-phenylphenyl)butanamide (CID 43244711) is 2-bromo-3-methyl-N-(4-phenylphenyl)butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(4-phenylphenyl)butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-(4-phenylphenyl)butanamide is CC(C)C(Br)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-bromo-3-methyl-N-(4-phenylphenyl)butanamide?
The InChIKey is XSSQBRQNJVKVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12(2)16(18)17(20)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3,(H,19,20).
What are the key properties of 2-bromo-3-methyl-N-(4-phenylphenyl)butanamide?
2-bromo-3-methyl-N-(4-phenylphenyl)butanamide has a molecular weight of 332.24 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(4-phenylphenyl)butanamide is sourced from PubChem (CID 43244711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).