(3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide

C17H13F4N3O2 — CID 134411870

IUPAC(3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C1NC[C@H](c2cc(C(F)(F)F)ccn2)[C@H]1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H13F4N3O2/c18-11-3-1-2-4-12(11)24-16(26)14-10(8-23-15(14)25)13-7-9(5-6-22-13)17(19,20)21/h1-7,10,14H,8H2,(H,23,25)(H,24,26)/t10-,14-/m1/s1
InChIKeyJEBZGGCHPWQMMY-QMTHXVAHSA-N
MW367.30 g/mol
LogP2.71
Rot. Bonds3

About (3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide

(3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 134411870) has the molecular formula C17H13F4N3O2 and a molecular weight of 367.30 g/mol. Its IUPAC name is (3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID134411870
Molecular FormulaC17H13F4N3O2
Molecular Weight367.30 g/mol
Exact Mass367.09
IUPAC Name(3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C1NC[C@H](c2cc(C(F)(F)F)ccn2)[C@H]1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H13F4N3O2/c18-11-3-1-2-4-12(11)24-16(26)14-10(8-23-15(14)25)13-7-9(5-6-22-13)17(19,20)21/h1-7,10,14H,8H2,(H,23,25)(H,24,26)/t10-,14-/m1/s1
InChIKeyJEBZGGCHPWQMMY-QMTHXVAHSA-N
XLogP2.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-N-(2,3-difluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134412252
4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 170046491
(3R,4S)-N-(2,3-difluorophenyl)-2-oxo-4-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 134412253
(3R,4S)-4-[3-(1,1-difluoroethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411708
(3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412705
(3R,4S)-4-(3,5-dimethylphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134411830
(3R,4S)-4-(3,4-dihydro-2H-chromen-6-yl)-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411803
(3S,4S)-1-(2,2-difluoroethyl)-N-(2-fluorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412219
(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412184
(3S,4S)-N-(2-fluorophenyl)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134411773
(3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen
CID 154673368
N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 142445131

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide (CID 134411870) is (3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide is O=C1NC[C@H](c2cc(C(F)(F)F)ccn2)[C@H]1C(=O)Nc1ccccc1F.
What is the InChIKey of (3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is JEBZGGCHPWQMMY-QMTHXVAHSA-N. The full InChI is InChI=1S/C17H13F4N3O2/c18-11-3-1-2-4-12(11)24-16(26)14-10(8-23-15(14)25)13-7-9(5-6-22-13)17(19,20)21/h1-7,10,14H,8H2,(H,23,25)(H,24,26)/t10-,14-/m1/s1.
What are the key properties of (3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
(3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 367.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134411870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).