3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide

C25H25BrN2O2 — CID 112773016

IUPAC3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide
SMILESCC(=O)NC(CC(=O)NC(Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C25H25BrN2O2/c1-18(29)27-24(21-12-14-22(26)15-13-21)17-25(30)28-23(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-15,23-24H,16-17H2,1H3,(H,27,29)(H,28,30)
InChIKeyFJCTYIKCLKYBLD-UHFFFAOYSA-N
MW465.39 g/mol
LogP5.12
Rot. Bonds8

About 3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide

3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide (PubChem CID 112773016) has the molecular formula C25H25BrN2O2 and a molecular weight of 465.39 g/mol. Its IUPAC name is 3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide
PubChem CID112773016
Molecular FormulaC25H25BrN2O2
Molecular Weight465.39 g/mol
Exact Mass464.11
IUPAC Name3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide
SMILESCC(=O)NC(CC(=O)NC(Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C25H25BrN2O2/c1-18(29)27-24(21-12-14-22(26)15-13-21)17-25(30)28-23(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-15,23-24H,16-17H2,1H3,(H,27,29)(H,28,30)
InChIKeyFJCTYIKCLKYBLD-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.39
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)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

3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 55717227
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
(2R)-2-[[3-acetamido-3-(4-bromophenyl)propanoyl]amino]-4-methylpentanoic acid
CID 119363861
3-acetamido-3-(4-bromophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 112811989
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
3-acetamido-3-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 112813036
3-[[3-acetamido-3-(4-bromophenyl)propanoyl]-methylamino]propanoic acid
CID 119362579
N-(1,2-diphenylethyl)pentanamide
CID 134014505

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide (CID 112773016) is 3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide is CC(=O)NC(CC(=O)NC(Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide?
The InChIKey is FJCTYIKCLKYBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O2/c1-18(29)27-24(21-12-14-22(26)15-13-21)17-25(30)28-23(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-15,23-24H,16-17H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide?
3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide has a molecular weight of 465.39 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide is sourced from PubChem (CID 112773016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).