(3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C15H13ClF6N2O3 — CID 51937772

IUPAC(3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C15H13ClF6N2O3/c16-9-1-2-11(27-7-15(20,21)22)10(4-9)23-13(26)8-3-12(25)24(5-8)6-14(17,18)19/h1-2,4,8H,3,5-7H2,(H,23,26)/t8-/m1/s1
InChIKeyKODYMNMDGBWRBY-MRVPVSSYSA-N
MW418.72 g/mol
LogP3.63
Rot. Bonds5

About (3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 51937772) has the molecular formula C15H13ClF6N2O3 and a molecular weight of 418.72 g/mol. Its IUPAC name is (3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID51937772
Molecular FormulaC15H13ClF6N2O3
Molecular Weight418.72 g/mol
Exact Mass418.05
IUPAC Name(3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C15H13ClF6N2O3/c16-9-1-2-11(27-7-15(20,21)22)10(4-9)23-13(26)8-3-12(25)24(5-8)6-14(17,18)19/h1-2,4,8H,3,5-7H2,(H,23,26)/t8-/m1/s1
InChIKeyKODYMNMDGBWRBY-MRVPVSSYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.72
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 42956776
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46572792
(3S)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 97010781
3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196327
N-(2-fluoro-5-nitrophenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60528597
(3S)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 52577868
1-(2-fluorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55507733
(3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 30474020
methyl 4-methyl-3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 55605186
(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26094799
(3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 34955432
N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119420226

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 51937772) is (3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[C@@H]1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of (3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is KODYMNMDGBWRBY-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H13ClF6N2O3/c16-9-1-2-11(27-7-15(20,21)22)10(4-9)23-13(26)8-3-12(25)24(5-8)6-14(17,18)19/h1-2,4,8H,3,5-7H2,(H,23,26)/t8-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 418.72 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51937772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).