N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C16H16F3N3O3 — CID 110405940

IUPACN-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC1C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C(F)(F)F)cc21
InChIInChI=1S/C16H16F3N3O3/c1-8-10-7-9(4-5-11(10)21-13(8)23)20-14(24)12-3-2-6-22(12)15(25)16(17,18)19/h4-5,7-8,12H,2-3,6H2,1H3,(H,20,24)(H,21,23)
InChIKeyZEQJXZHOVZTBJM-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.23
Rot. Bonds2

About N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110405940) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110405940
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC1C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C(F)(F)F)cc21
InChIInChI=1S/C16H16F3N3O3/c1-8-10-7-9(4-5-11(10)21-13(8)23)20-14(24)12-3-2-6-22(12)15(25)16(17,18)19/h4-5,7-8,12H,2-3,6H2,1H3,(H,20,24)(H,21,23)
InChIKeyZEQJXZHOVZTBJM-UHFFFAOYSA-N
XLogP2.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110867641
methyl 4-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 110343966
N-(4-pyrrolidin-1-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343971
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110639941
1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea
CID 110405906
(2S)-N-(4-tert-butyl-2-pyridinyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 58989942
N-(2-chlorophenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343933
N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343928
1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 55741414
1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 60531568
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 130292250
N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 100972174

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110405940) is N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is CC1C(=O)Nc2ccc(NC(=O)C3CCCN3C(=O)C(F)(F)F)cc21.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is ZEQJXZHOVZTBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-8-10-7-9(4-5-11(10)21-13(8)23)20-14(24)12-3-2-6-22(12)15(25)16(17,18)19/h4-5,7-8,12H,2-3,6H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110405940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).