(3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C16H16F4N2O2 — CID 95614498

IUPAC(3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(N[C@@H]1CCc2ccc(F)cc21)[C@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C16H16F4N2O2/c17-11-3-1-9-2-4-13(12(9)6-11)21-15(24)10-5-14(23)22(7-10)8-16(18,19)20/h1,3,6,10,13H,2,4-5,7-8H2,(H,21,24)/t10-,13+/m0/s1
InChIKeyNLEDMNWLOIKCDZ-GXFFZTMASA-N
MW344.31 g/mol
LogP2.34
Rot. Bonds3

About (3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 95614498) has the molecular formula C16H16F4N2O2 and a molecular weight of 344.31 g/mol. Its IUPAC name is (3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID95614498
Molecular FormulaC16H16F4N2O2
Molecular Weight344.31 g/mol
Exact Mass344.11
IUPAC Name(3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(N[C@@H]1CCc2ccc(F)cc21)[C@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C16H16F4N2O2/c17-11-3-1-9-2-4-13(12(9)6-11)21-15(24)10-5-14(23)22(7-10)8-16(18,19)20/h1,3,6,10,13H,2,4-5,7-8H2,(H,21,24)/t10-,13+/m0/s1
InChIKeyNLEDMNWLOIKCDZ-GXFFZTMASA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 56782269
(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide
CID 94660919
(3S)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95622347
(3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 124537618
4-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148865
4-[[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148866
5-oxo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119389668
(3R)-N-[3-(3-fluorophenyl)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95234126
N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55607680
(3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 125432176
(3R)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130119
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 95614498) is (3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(N[C@@H]1CCc2ccc(F)cc21)[C@H]1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of (3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is NLEDMNWLOIKCDZ-GXFFZTMASA-N. The full InChI is InChI=1S/C16H16F4N2O2/c17-11-3-1-9-2-4-13(12(9)6-11)21-15(24)10-5-14(23)22(7-10)8-16(18,19)20/h1,3,6,10,13H,2,4-5,7-8H2,(H,21,24)/t10-,13+/m0/s1.
What are the key properties of (3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 344.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95614498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).