N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide

C18H20BrNO — CID 114308227

IUPACN-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NCC(Br)c1ccccc1
InChIInChI=1S/C18H20BrNO/c1-14-7-5-6-8-15(14)11-12-18(21)20-13-17(19)16-9-3-2-4-10-16/h2-10,17H,11-13H2,1H3,(H,20,21)
InChIKeyFQEFOBUFXOYBCJ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.18
Rot. Bonds6

About N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide

N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide (PubChem CID 114308227) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide
PubChem CID114308227
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NCC(Br)c1ccccc1
InChIInChI=1S/C18H20BrNO/c1-14-7-5-6-8-15(14)11-12-18(21)20-13-17(19)16-9-3-2-4-10-16/h2-10,17H,11-13H2,1H3,(H,20,21)
InChIKeyFQEFOBUFXOYBCJ-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide 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

(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
CID 155618148
N-cyclohexyl-4-phenylbutanamide
CID 288831
N-phenethyl-2-phenylacetamide
CID 138516
2-cyclohexyl-N-phenethyl-acetamide
CID 1121089
4-phenyl-N-(2-phenylethyl)butanamide
CID 836348
N-(3-phenylpropyl)cyclohexanecarboxamide
CID 2163843
CID 162516977
CID 162516977
N-[2-(Dimethylamino)ethyl]-2,2-diphenylacetamide
CID 422051
N-pentyl-3-phenylpropanamide
CID 1744191
2-phenyl-N-[4-[(2-phenylacetyl)amino]butyl]acetamide
CID 2162324
N-butyl-2-phenylacetamide
CID 221447
3-(3-bromophenyl)-N-ethylpropanamide
CID 44531540

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide (CID 114308227) is N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)NCC(Br)c1ccccc1.
What is the InChIKey of N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide?
The InChIKey is FQEFOBUFXOYBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-14-7-5-6-8-15(14)11-12-18(21)20-13-17(19)16-9-3-2-4-10-16/h2-10,17H,11-13H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide?
N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide has a molecular weight of 346.27 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 114308227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).