2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide

C23H22BrNO — CID 44578696

IUPAC2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide
SMILESO=C(NCCCc1ccccc1)C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C23H22BrNO/c24-21-15-13-20(14-16-21)22(19-11-5-2-6-12-19)23(26)25-17-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-16,22H,7,10,17H2,(H,25,26)
InChIKeyACZAPKHQBWGJHX-UHFFFAOYSA-N
MW408.34 g/mol
LogP5.33
Rot. Bonds7

About 2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide

2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide (PubChem CID 44578696) has the molecular formula C23H22BrNO and a molecular weight of 408.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide
PubChem CID44578696
Molecular FormulaC23H22BrNO
Molecular Weight408.34 g/mol
Exact Mass407.09
IUPAC Name2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide
SMILESO=C(NCCCc1ccccc1)C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C23H22BrNO/c24-21-15-13-20(14-16-21)22(19-11-5-2-6-12-19)23(26)25-17-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-16,22H,7,10,17H2,(H,25,26)
InChIKeyACZAPKHQBWGJHX-UHFFFAOYSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.34
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide 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 2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide (CID 44578696) is 2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide is O=C(NCCCc1ccccc1)C(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide?
The InChIKey is ACZAPKHQBWGJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO/c24-21-15-13-20(14-16-21)22(19-11-5-2-6-12-19)23(26)25-17-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-16,22H,7,10,17H2,(H,25,26).
What are the key properties of 2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide?
2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide has a molecular weight of 408.34 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 44578696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).