1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C18H13Cl2F3N2O2 — CID 71955816

IUPAC1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H13Cl2F3N2O2/c19-11-3-6-15(14(20)9-11)25-8-7-13(17(25)27)16(26)24-12-4-1-10(2-5-12)18(21,22)23/h1-6,9,13H,7-8H2,(H,24,26)
InChIKeyQESJDSXFWAKKAV-UHFFFAOYSA-N
MW417.21 g/mol
LogP5.00
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 71955816) has the molecular formula C18H13Cl2F3N2O2 and a molecular weight of 417.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID71955816
Molecular FormulaC18H13Cl2F3N2O2
Molecular Weight417.21 g/mol
Exact Mass416.03
IUPAC Name1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H13Cl2F3N2O2/c19-11-3-6-15(14(20)9-11)25-8-7-13(17(25)27)16(26)24-12-4-1-10(2-5-12)18(21,22)23/h1-6,9,13H,7-8H2,(H,24,26)
InChIKeyQESJDSXFWAKKAV-UHFFFAOYSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.21
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-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

(3R)-N-[(2S)-butan-2-yl]-1-(2,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93331026
(3R)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 93330664
(3S)-1-(2,4-dichlorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93330668
1-(4-chloro-2-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187758
1-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 60566893
3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 63667119
(3S)-1-(3-chloro-4-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330510
1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 42863497
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
(3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93331069
(3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330491
N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide
CID 124850811

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 71955816) is 1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is QESJDSXFWAKKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2O2/c19-11-3-6-15(14(20)9-11)25-8-7-13(17(25)27)16(26)24-12-4-1-10(2-5-12)18(21,22)23/h1-6,9,13H,7-8H2,(H,24,26).
What are the key properties of 1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 417.21 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71955816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).