(3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide

C18H15Cl2FN2O2 — CID 93330664

IUPAC(3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H15Cl2FN2O2/c19-12-3-6-16(15(20)9-12)23-8-7-14(18(23)25)17(24)22-10-11-1-4-13(21)5-2-11/h1-6,9,14H,7-8,10H2,(H,22,24)/t14-/m1/s1
InChIKeyWMVFTWGYLCDHLS-CQSZACIVSA-N
MW381.23 g/mol
LogP3.80
Rot. Bonds4

About (3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide

(3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 93330664) has the molecular formula C18H15Cl2FN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is (3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID93330664
Molecular FormulaC18H15Cl2FN2O2
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name(3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H15Cl2FN2O2/c19-12-3-6-16(15(20)9-12)23-8-7-14(18(23)25)17(24)22-10-11-1-4-13(21)5-2-11/h1-6,9,14H,7-8,10H2,(H,22,24)/t14-/m1/s1
InChIKeyWMVFTWGYLCDHLS-CQSZACIVSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide 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

1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46048576
(3S)-1-(2,4-dichlorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93330668
(3S)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94490782
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 71955816
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 50797734
1-(4-fluorophenyl)-2-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 50797645
1-(3-chloro-4-fluorophenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159426
(3R)-N-[(4-butoxyphenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 94080020
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797741
(3S)-1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94079963

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide (CID 93330664) is (3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc(F)cc1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of (3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is WMVFTWGYLCDHLS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O2/c19-12-3-6-16(15(20)9-12)23-8-7-14(18(23)25)17(24)22-10-11-1-4-13(21)5-2-11/h1-6,9,14H,7-8,10H2,(H,22,24)/t14-/m1/s1.
What are the key properties of (3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
(3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 381.23 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 93330664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).