(3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C14H13F5N2O2 — CID 124537618

IUPAC(3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C14H13F5N2O2/c15-10-1-2-11(16)8(3-10)5-20-13(23)9-4-12(22)21(6-9)7-14(17,18)19/h1-3,9H,4-7H2,(H,20,23)/t9-/m1/s1
InChIKeyGIFZVOFWJRHQKL-SECBINFHSA-N
MW336.26 g/mol
LogP1.99
Rot. Bonds4

About (3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 124537618) has the molecular formula C14H13F5N2O2 and a molecular weight of 336.26 g/mol. Its IUPAC name is (3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID124537618
Molecular FormulaC14H13F5N2O2
Molecular Weight336.26 g/mol
Exact Mass336.09
IUPAC Name(3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C14H13F5N2O2/c15-10-1-2-11(16)8(3-10)5-20-13(23)9-4-12(22)21(6-9)7-14(17,18)19/h1-3,9H,4-7H2,(H,20,23)/t9-/m1/s1
InChIKeyGIFZVOFWJRHQKL-SECBINFHSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 42956888
(3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95614498
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 56782269
(3R)-N-[3-(3-fluorophenyl)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95234126
(3S)-N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93017732
N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55607680
(3R)-N-[[3-(methoxymethyl)phenyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 94820599
N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78942020
(3S)-N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 35697948
N-[[3-(dimethylamino)phenyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51100823
N-(2-fluoro-5-nitrophenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60528597
3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 124537618) is (3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NCc1cc(F)ccc1F)[C@@H]1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of (3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is GIFZVOFWJRHQKL-SECBINFHSA-N. The full InChI is InChI=1S/C14H13F5N2O2/c15-10-1-2-11(16)8(3-10)5-20-13(23)9-4-12(22)21(6-9)7-14(17,18)19/h1-3,9H,4-7H2,(H,20,23)/t9-/m1/s1.
What are the key properties of (3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 336.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 124537618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).