N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C17H18F3N3O2 — CID 110371599

IUPACN-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCn1cc(CNC(=O)C2CCCN2C(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C17H18F3N3O2/c1-22-10-11(12-5-2-3-6-13(12)22)9-21-15(24)14-7-4-8-23(14)16(25)17(18,19)20/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,21,24)
InChIKeyJRRIPKCJIPNRAD-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.35
Rot. Bonds3

About N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110371599) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110371599
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCn1cc(CNC(=O)C2CCCN2C(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C17H18F3N3O2/c1-22-10-11(12-5-2-3-6-13(12)22)9-21-15(24)14-7-4-8-23(14)16(25)17(18,19)20/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,21,24)
InChIKeyJRRIPKCJIPNRAD-UHFFFAOYSA-N
XLogP2.35
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110642182
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110405201
N-[(5-phenylthiophen-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110292509
N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 86587583
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 112502055
N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110288042
2-(1-methylindol-3-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95294044
(2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 126787082
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110319952
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110371599) is N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is Cn1cc(CNC(=O)C2CCCN2C(=O)C(F)(F)F)c2ccccc21.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is JRRIPKCJIPNRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-22-10-11(12-5-2-3-6-13(12)22)9-21-15(24)14-7-4-8-23(14)16(25)17(18,19)20/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,21,24).
What are the key properties of N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110371599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).