N-(4-bromophenyl)-2-methyl-3-phenylpropanamide

C16H16BrNO — CID 2854047

IUPACN-(4-bromophenyl)-2-methyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO/c1-12(11-13-5-3-2-4-6-13)16(19)18-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyFDFZEIGWMIYYBS-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.27
Rot. Bonds4

About N-(4-bromophenyl)-2-methyl-3-phenylpropanamide

N-(4-bromophenyl)-2-methyl-3-phenylpropanamide (PubChem CID 2854047) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-methyl-3-phenylpropanamide
PubChem CID2854047
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(4-bromophenyl)-2-methyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO/c1-12(11-13-5-3-2-4-6-13)16(19)18-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyFDFZEIGWMIYYBS-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-bromophenyl)-2-methyl-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of N-(4-bromophenyl)-2-methyl-3-phenylpropanamide (CID 2854047) is N-(4-bromophenyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-2-methyl-3-phenylpropanamide is CC(Cc1ccccc1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-methyl-3-phenylpropanamide?
The InChIKey is FDFZEIGWMIYYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-12(11-13-5-3-2-4-6-13)16(19)18-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of N-(4-bromophenyl)-2-methyl-3-phenylpropanamide?
N-(4-bromophenyl)-2-methyl-3-phenylpropanamide has a molecular weight of 318.21 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 2854047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).