(3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide

C20H18F4N2O3 — CID 134411773

IUPAC(3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)ccc1[C@H]1CN(C)C(=O)[C@@H]1C(=O)Nc1ccccc1F
InChIInChI=1S/C20H18F4N2O3/c1-26-10-13(12-8-7-11(20(22,23)24)9-16(12)29-2)17(19(26)28)18(27)25-15-6-4-3-5-14(15)21/h3-9,13,17H,10H2,1-2H3,(H,25,27)/t13-,17+/m1/s1
InChIKeySONLULLEQRJWFG-DYVFJYSZSA-N
MW410.37 g/mol
LogP3.66
Rot. Bonds4

About (3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide

(3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 134411773) has the molecular formula C20H18F4N2O3 and a molecular weight of 410.37 g/mol. Its IUPAC name is (3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID134411773
Molecular FormulaC20H18F4N2O3
Molecular Weight410.37 g/mol
Exact Mass410.13
IUPAC Name(3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)ccc1[C@H]1CN(C)C(=O)[C@@H]1C(=O)Nc1ccccc1F
InChIInChI=1S/C20H18F4N2O3/c1-26-10-13(12-8-7-11(20(22,23)24)9-16(12)29-2)17(19(26)28)18(27)25-15-6-4-3-5-14(15)21/h3-9,13,17H,10H2,1-2H3,(H,25,27)/t13-,17+/m1/s1
InChIKeySONLULLEQRJWFG-DYVFJYSZSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide (CID 134411773) is (3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide is COc1cc(C(F)(F)F)ccc1[C@H]1CN(C)C(=O)[C@@H]1C(=O)Nc1ccccc1F.
What is the InChIKey of (3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is SONLULLEQRJWFG-DYVFJYSZSA-N. The full InChI is InChI=1S/C20H18F4N2O3/c1-26-10-13(12-8-7-11(20(22,23)24)9-16(12)29-2)17(19(26)28)18(27)25-15-6-4-3-5-14(15)21/h3-9,13,17H,10H2,1-2H3,(H,25,27)/t13-,17+/m1/s1.
What are the key properties of (3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide?
(3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 410.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134411773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).