1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide

C19H18F3N3O2 — CID 113189709

IUPAC1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(N2CC(C(=O)Nc3ccc(F)c(F)c3F)CC2=O)cc1
InChIInChI=1S/C19H18F3N3O2/c1-24(2)12-3-5-13(6-4-12)25-10-11(9-16(25)26)19(27)23-15-8-7-14(20)17(21)18(15)22/h3-8,11H,9-10H2,1-2H3,(H,23,27)
InChIKeyKZVZUNJEZQQIPX-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.16
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide

1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 113189709) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
PubChem CID113189709
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(N2CC(C(=O)Nc3ccc(F)c(F)c3F)CC2=O)cc1
InChIInChI=1S/C19H18F3N3O2/c1-24(2)12-3-5-13(6-4-12)25-10-11(9-16(25)26)19(27)23-15-8-7-14(20)17(21)18(15)22/h3-8,11H,9-10H2,1-2H3,(H,23,27)
InChIKeyKZVZUNJEZQQIPX-UHFFFAOYSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-1-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189711
1-(4-chlorophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55873020
1-(2-fluorophenyl)-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 51176548
5-oxo-1-pyridin-3-yl-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 110684610
1-[4-(dimethylamino)phenyl]-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189650
N-(2,5-dimethoxyphenyl)-1-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189679
(3S)-1-(4-bromophenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7207517
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
1-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191199
(3R)-1-(4-ethylphenyl)-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 797987
1-(3-chlorophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43072059
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883840

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide (CID 113189709) is 1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide is CN(C)c1ccc(N2CC(C(=O)Nc3ccc(F)c(F)c3F)CC2=O)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is KZVZUNJEZQQIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-24(2)12-3-5-13(6-4-12)25-10-11(9-16(25)26)19(27)23-15-8-7-14(20)17(21)18(15)22/h3-8,11H,9-10H2,1-2H3,(H,23,27).
What are the key properties of 1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113189709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).