4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide

C17H18F3N3O2 — CID 139001968

IUPAC4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC3CCN(CC(F)(F)F)C3=O)cc2c1C
InChIInChI=1S/C17H18F3N3O2/c1-9-3-4-12-11(10(9)2)7-14(21-12)15(24)22-13-5-6-23(16(13)25)8-17(18,19)20/h3-4,7,13,21H,5-6,8H2,1-2H3,(H,22,24)
InChIKeyBCQKKQFJFCFKIV-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.68
Rot. Bonds3

About 4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide

4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 139001968) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
PubChem CID139001968
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC3CCN(CC(F)(F)F)C3=O)cc2c1C
InChIInChI=1S/C17H18F3N3O2/c1-9-3-4-12-11(10(9)2)7-14(21-12)15(24)22-13-5-6-23(16(13)25)8-17(18,19)20/h3-4,7,13,21H,5-6,8H2,1-2H3,(H,22,24)
InChIKeyBCQKKQFJFCFKIV-UHFFFAOYSA-N
XLogP2.68
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide (CID 139001968) is 4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NC3CCN(CC(F)(F)F)C3=O)cc2c1C.
What is the InChIKey of 4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is BCQKKQFJFCFKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-9-3-4-12-11(10(9)2)7-14(21-12)15(24)22-13-5-6-23(16(13)25)8-17(18,19)20/h3-4,7,13,21H,5-6,8H2,1-2H3,(H,22,24).
What are the key properties of 4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide?
4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 139001968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).