N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C17H20F3N3O2 — CID 112502055

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCc2ccccc21)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)16(25)23-9-3-6-14(23)15(24)21-8-11-22-10-7-12-4-1-2-5-13(12)22/h1-2,4-5,14H,3,6-11H2,(H,21,24)
InChIKeyRLGBCDDLPWQUCQ-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.72
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 112502055) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID112502055
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCc2ccccc21)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)16(25)23-9-3-6-14(23)15(24)21-8-11-22-10-7-12-4-1-2-5-13(12)22/h1-2,4-5,14H,3,6-11H2,(H,21,24)
InChIKeyRLGBCDDLPWQUCQ-UHFFFAOYSA-N
XLogP1.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97191213
N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
cis-(1S,3R)-3-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 133134060
(1S,3S,8R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 118761914
N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110288042
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-2-carboxamide
CID 103813592
N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110371599
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46963818
2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110343994
(1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 95217368
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110405201
N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 86587583

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 112502055) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C(NCCN1CCc2ccccc21)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is RLGBCDDLPWQUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c18-17(19,20)16(25)23-9-3-6-14(23)15(24)21-8-11-22-10-7-12-4-1-2-5-13(12)22/h1-2,4-5,14H,3,6-11H2,(H,21,24).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 112502055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).