4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one

C16H13ClFNO — CID 81157204

IUPAC4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccc(F)c(Cl)c2)C(c2ccccc2)N1
InChIInChI=1S/C16H13ClFNO/c17-13-8-11(6-7-14(13)18)12-9-15(20)19-16(12)10-4-2-1-3-5-10/h1-8,12,16H,9H2,(H,19,20)
InChIKeyCCISGHQKZZUAGP-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.82
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one

4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one (PubChem CID 81157204) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one
PubChem CID81157204
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccc(F)c(Cl)c2)C(c2ccccc2)N1
InChIInChI=1S/C16H13ClFNO/c17-13-8-11(6-7-14(13)18)12-9-15(20)19-16(12)10-4-2-1-3-5-10/h1-8,12,16H,9H2,(H,19,20)
InChIKeyCCISGHQKZZUAGP-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-chloro-4-fluorophenyl)-5-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

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one (CID 81157204) is 4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one is O=C1CC(c2ccc(F)c(Cl)c2)C(c2ccccc2)N1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one?
The InChIKey is CCISGHQKZZUAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-13-8-11(6-7-14(13)18)12-9-15(20)19-16(12)10-4-2-1-3-5-10/h1-8,12,16H,9H2,(H,19,20).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one?
4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one has a molecular weight of 289.74 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 81157204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).