(2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C17H19F3N2O2 — CID 95299874

IUPAC(2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)[C@H]1CCc2ccccc21
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)10-21-15(23)14-6-3-9-22(14)16(24)13-8-7-11-4-1-2-5-12(11)13/h1-2,4-5,13-14H,3,6-10H2,(H,21,23)/t13-,14-/m0/s1
InChIKeyXYVYZHXTHVFRNN-KBPBESRZSA-N
MW340.35 g/mol
LogP2.39
Rot. Bonds3

About (2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

(2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 95299874) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is (2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID95299874
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name(2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)[C@H]1CCc2ccccc21
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)10-21-15(23)14-6-3-9-22(14)16(24)13-8-7-11-4-1-2-5-12(11)13/h1-2,4-5,13-14H,3,6-10H2,(H,21,23)/t13-,14-/m0/s1
InChIKeyXYVYZHXTHVFRNN-KBPBESRZSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55627807
1-(4-phenoxybutanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600518
1-(2-benzhydryloxyacetyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55669330
[4-[[[(2S)-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexyl]azanium;2,2,2-trifluoroacetate
CID 10507338
1-[2-(2-ethylphenoxy)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55669359
[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351274
1-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 156794409
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
1-[2-(1,2-benzoxazol-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600515
(2R)-1-(2-nitrophenyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95625612
methyl (2S)-1-[(2S)-1-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 70047932

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 95299874) is (2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)[C@H]1CCc2ccccc21.
What is the InChIKey of (2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is XYVYZHXTHVFRNN-KBPBESRZSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c18-17(19,20)10-21-15(23)14-6-3-9-22(14)16(24)13-8-7-11-4-1-2-5-12(11)13/h1-2,4-5,13-14H,3,6-10H2,(H,21,23)/t13-,14-/m0/s1.
What are the key properties of (2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95299874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).