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

C17H18BrNO — CID 47096965

IUPACN-(2-bromo-4-methylphenyl)-3-phenylbutanamide
SMILESCc1ccc(NC(=O)CC(C)c2ccccc2)c(Br)c1
InChIInChI=1S/C17H18BrNO/c1-12-8-9-16(15(18)10-12)19-17(20)11-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyRJDRJWDNUAXYIZ-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.89
Rot. Bonds4

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

N-(2-bromo-4-methylphenyl)-3-phenylbutanamide (PubChem CID 47096965) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-phenylbutanamide
PubChem CID47096965
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-(2-bromo-4-methylphenyl)-3-phenylbutanamide
SMILESCc1ccc(NC(=O)CC(C)c2ccccc2)c(Br)c1
InChIInChI=1S/C17H18BrNO/c1-12-8-9-16(15(18)10-12)19-17(20)11-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyRJDRJWDNUAXYIZ-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

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

N'-(2-bromo-4-methylphenyl)-2-methylbutanediamide
CID 82124662
N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
CID 1001609
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834241
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
CID 108508121
N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110426047
(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
CID 798501
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 113000553
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-phenylbutanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-phenylbutanamide (CID 47096965) is N-(2-bromo-4-methylphenyl)-3-phenylbutanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-phenylbutanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-phenylbutanamide is Cc1ccc(NC(=O)CC(C)c2ccccc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-phenylbutanamide?
The InChIKey is RJDRJWDNUAXYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-8-9-16(15(18)10-12)19-17(20)11-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-phenylbutanamide?
N-(2-bromo-4-methylphenyl)-3-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-(2-bromo-4-methylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 47096965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).