4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one

C16H14ClNO — CID 54377055

IUPAC4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one
SMILESO=C1NCC(c2cccc(Cl)c2)C1c1ccccc1
InChIInChI=1S/C16H14ClNO/c17-13-8-4-7-12(9-13)14-10-18-16(19)15(14)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,18,19)
InChIKeyUXGIXJLEBICYQD-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.34
Rot. Bonds2

About 4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one

4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one (PubChem CID 54377055) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one
PubChem CID54377055
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one
SMILESO=C1NCC(c2cccc(Cl)c2)C1c1ccccc1
InChIInChI=1S/C16H14ClNO/c17-13-8-4-7-12(9-13)14-10-18-16(19)15(14)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,18,19)
InChIKeyUXGIXJLEBICYQD-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one 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

4-Phenyl-2-pyrrolidinone
CID 121397
F 1459
CID 162185
N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 24684626
4-(4-Chlorophenyl)-2-pyrrolidinone
CID 185490
3-chloro-N-(2-phenylethyl)benzamide
CID 835434
2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 828501
N-(4-chlorobenzyl)-4-phenylbutanamide
CID 885528
N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide
CID 844859
2-(3-Chloro-phenyl)-N-cyclohexyl-acetamide
CID 11379742
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpyrrolidin-1-yl)methanone
CID 11659861
[1-(4-Chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 11667635
3-(2-Chlorophenyl)-4-(4-chlorophenyl)pyrrolidin-2-one
CID 21539375

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one (CID 54377055) is 4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one is O=C1NCC(c2cccc(Cl)c2)C1c1ccccc1.
What is the InChIKey of 4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one?
The InChIKey is UXGIXJLEBICYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-13-8-4-7-12(9-13)14-10-18-16(19)15(14)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,18,19).
What are the key properties of 4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one?
4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one has a molecular weight of 271.75 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 54377055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).