(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C18H14F4N2O2 — CID 8572964

IUPAC(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C18H14F4N2O2/c19-14-3-1-2-4-15(14)24-10-11(9-16(24)25)17(26)23-13-7-5-12(6-8-13)18(20,21)22/h1-8,11H,9-10H2,(H,23,26)/t11-/m1/s1
InChIKeyIJBCCHNQMQMRAR-LLVKDONJSA-N
MW366.31 g/mol
LogP3.84
Rot. Bonds3

About (3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 8572964) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID8572964
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C18H14F4N2O2/c19-14-3-1-2-4-15(14)24-10-11(9-16(24)25)17(26)23-13-7-5-12(6-8-13)18(20,21)22/h1-8,11H,9-10H2,(H,23,26)/t11-/m1/s1
InChIKeyIJBCCHNQMQMRAR-LLVKDONJSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 166318281
5-oxo-1-(2-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113186635
1-(3-chloro-2-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187538
(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30179761
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003
(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2203536
1-(4-chloro-2-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187758
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42883707
N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188760
(3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 8623706
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 8572964) is (3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is IJBCCHNQMQMRAR-LLVKDONJSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c19-14-3-1-2-4-15(14)24-10-11(9-16(24)25)17(26)23-13-7-5-12(6-8-13)18(20,21)22/h1-8,11H,9-10H2,(H,23,26)/t11-/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 366.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 8572964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).