6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide

C21H18F3N3O3 — CID 102557214

IUPAC6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC3CCN(c4cccc(OC(F)(F)F)c4)C3=O)[nH]c2c1
InChIInChI=1S/C21H18F3N3O3/c1-12-5-6-13-10-18(25-17(13)9-12)19(28)26-16-7-8-27(20(16)29)14-3-2-4-15(11-14)30-21(22,23)24/h2-6,9-11,16,25H,7-8H2,1H3,(H,26,28)
InChIKeyKVEWAARIZGBYOE-UHFFFAOYSA-N
MW417.39 g/mol
LogP3.91
Rot. Bonds4

About 6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide

6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 102557214) has the molecular formula C21H18F3N3O3 and a molecular weight of 417.39 g/mol. Its IUPAC name is 6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
PubChem CID102557214
Molecular FormulaC21H18F3N3O3
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC Name6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC3CCN(c4cccc(OC(F)(F)F)c4)C3=O)[nH]c2c1
InChIInChI=1S/C21H18F3N3O3/c1-12-5-6-13-10-18(25-17(13)9-12)19(28)26-16-7-8-27(20(16)29)14-3-2-4-15(11-14)30-21(22,23)24/h2-6,9-11,16,25H,7-8H2,1H3,(H,26,28)
InChIKeyKVEWAARIZGBYOE-UHFFFAOYSA-N
XLogP3.91
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide (CID 102557214) is 6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NC3CCN(c4cccc(OC(F)(F)F)c4)C3=O)[nH]c2c1.
What is the InChIKey of 6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is KVEWAARIZGBYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3/c1-12-5-6-13-10-18(25-17(13)9-12)19(28)26-16-7-8-27(20(16)29)14-3-2-4-15(11-14)30-21(22,23)24/h2-6,9-11,16,25H,7-8H2,1H3,(H,26,28).
What are the key properties of 6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 102557214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).