1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C17H20F3N3O3 — CID 55978719

IUPAC1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCc1c(C(=O)N2CCCC2C(=O)NCC(F)(F)F)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C17H20F3N3O3/c1-9-13-10(4-2-6-12(13)24)22-14(9)16(26)23-7-3-5-11(23)15(25)21-8-17(18,19)20/h11,22H,2-8H2,1H3,(H,21,25)
InChIKeyAQWWZQQUFLNBJT-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.13
Rot. Bonds3

About 1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 55978719) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID55978719
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC Name1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCc1c(C(=O)N2CCCC2C(=O)NCC(F)(F)F)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C17H20F3N3O3/c1-9-13-10(4-2-6-12(13)24)22-14(9)16(26)23-7-3-5-11(23)15(25)21-8-17(18,19)20/h11,22H,2-8H2,1H3,(H,21,25)
InChIKeyAQWWZQQUFLNBJT-UHFFFAOYSA-N
XLogP2.13
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 55978719) is 1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is Cc1c(C(=O)N2CCCC2C(=O)NCC(F)(F)F)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is AQWWZQQUFLNBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c1-9-13-10(4-2-6-12(13)24)22-14(9)16(26)23-7-3-5-11(23)15(25)21-8-17(18,19)20/h11,22H,2-8H2,1H3,(H,21,25).
What are the key properties of 1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55978719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).