3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one

C22H23ClN2O3 — CID 58425097

IUPAC3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one
SMILES[H]/N=C1\CC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC(O)CO
InChIInChI=1S/C22H23ClN2O3/c23-18-6-2-4-15(10-18)14-3-1-5-17(9-14)22(16-7-8-16)11-20(24)25(21(22)28)12-19(27)13-26/h1-6,9-10,16,19,24,26-27H,7-8,11-13H2/b24-20+
InChIKeyWPVCMZCVFSMOMN-HIXSDJFHSA-N
MW398.89 g/mol
LogP3.22
Rot. Bonds6

About 3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one

3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one (PubChem CID 58425097) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one
PubChem CID58425097
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one
SMILES[H]/N=C1\CC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC(O)CO
InChIInChI=1S/C22H23ClN2O3/c23-18-6-2-4-15(10-18)14-3-1-5-17(9-14)22(16-7-8-16)11-20(24)25(21(22)28)12-19(27)13-26/h1-6,9-10,16,19,24,26-27H,7-8,11-13H2/b24-20+
InChIKeyWPVCMZCVFSMOMN-HIXSDJFHSA-N
XLogP3.22
TPSA84.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-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 3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one?
The IUPAC name of 3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one (CID 58425097) is 3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one.
What is the SMILES notation for 3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one?
The canonical SMILES for 3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one is [H]/N=C1\CC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CC(O)CO.
What is the InChIKey of 3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one?
The InChIKey is WPVCMZCVFSMOMN-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c23-18-6-2-4-15(10-18)14-3-1-5-17(9-14)22(16-7-8-16)11-20(24)25(21(22)28)12-19(27)13-26/h1-6,9-10,16,19,24,26-27H,7-8,11-13H2/b24-20+.
What are the key properties of 3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one?
3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one has a molecular weight of 398.89 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-(2,3-dihydroxypropyl)-5-iminopyrrolidin-2-one is sourced from PubChem (CID 58425097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).