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

C23H22ClNO — CID 44578695

IUPAC2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide
SMILESO=C(NCCCc1ccccc1)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClNO/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)
InChIKeyZWUFWSBHKJAWLM-UHFFFAOYSA-N
MW363.89 g/mol
LogP5.22
Rot. Bonds7

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

2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide (PubChem CID 44578695) has the molecular formula C23H22ClNO and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide
PubChem CID44578695
Molecular FormulaC23H22ClNO
Molecular Weight363.89 g/mol
Exact Mass363.14
IUPAC Name2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide
SMILESO=C(NCCCc1ccccc1)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClNO/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)
InChIKeyZWUFWSBHKJAWLM-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide (CID 44578695) is 2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide is O=C(NCCCc1ccccc1)C(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide?
The InChIKey is ZWUFWSBHKJAWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO/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-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide?
2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide has a molecular weight of 363.89 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-phenyl-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 44578695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).