(3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C15H14F3N3O2 — CID 95625398

IUPAC(3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)[C@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)8-21-7-10(6-13(21)22)14(23)20-11-1-2-12-9(5-11)3-4-19-12/h1-5,10,19H,6-8H2,(H,20,23)/t10-/m0/s1
InChIKeyZGZBPPXMKMIREZ-JTQLQIEISA-N
MW325.29 g/mol
LogP2.52
Rot. Bonds3

About (3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 95625398) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is (3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID95625398
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name(3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)[C@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)8-21-7-10(6-13(21)22)14(23)20-11-1-2-12-9(5-11)3-4-19-12/h1-5,10,19H,6-8H2,(H,20,23)/t10-/m0/s1
InChIKeyZGZBPPXMKMIREZ-JTQLQIEISA-N
XLogP2.52
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55604591
(3R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 31862001
N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119420226
N-dibenzofuran-3-yl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55693346
2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
CID 119253907
N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110730749
N-[4-(3-amino-3-oxopropoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55839861
N-(2-fluoro-5-nitrophenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60528597
5-oxo-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60549611
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
N-(5-chloro-2-methylphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 42956776
N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72851780

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 95625398) is (3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)[C@H]1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of (3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZGZBPPXMKMIREZ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)8-21-7-10(6-13(21)22)14(23)20-11-1-2-12-9(5-11)3-4-19-12/h1-5,10,19H,6-8H2,(H,20,23)/t10-/m0/s1.
What are the key properties of (3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95625398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).