(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide

C16H19FN2O2 — CID 94660919

IUPAC(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)N[C@@H]2CCc3cc(F)ccc32)CC1=O
InChIInChI=1S/C16H19FN2O2/c1-2-19-9-11(8-15(19)20)16(21)18-14-6-3-10-7-12(17)4-5-13(10)14/h4-5,7,11,14H,2-3,6,8-9H2,1H3,(H,18,21)/t11-,14+/m0/s1
InChIKeyDOYRAZIAOCLKQJ-SMDDNHRTSA-N
MW290.34 g/mol
LogP1.80
Rot. Bonds3

About (3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94660919) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is (3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94660919
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)N[C@@H]2CCc3cc(F)ccc32)CC1=O
InChIInChI=1S/C16H19FN2O2/c1-2-19-9-11(8-15(19)20)16(21)18-14-6-3-10-7-12(17)4-5-13(10)14/h4-5,7,11,14H,2-3,6,8-9H2,1H3,(H,18,21)/t11-,14+/m0/s1
InChIKeyDOYRAZIAOCLKQJ-SMDDNHRTSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95614498
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 56782269
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
CID 94818124
(3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94646783
(3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 94660912
(3S)-1-ethyl-5-oxo-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyrrolidine-3-carboxamide
CID 95309657
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119301428
(3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 125432176
(3R)-1-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94088856
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide (CID 94660919) is (3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide is CCN1C[C@@H](C(=O)N[C@@H]2CCc3cc(F)ccc32)CC1=O.
What is the InChIKey of (3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DOYRAZIAOCLKQJ-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-19-9-11(8-15(19)20)16(21)18-14-6-3-10-7-12(17)4-5-13(10)14/h4-5,7,11,14H,2-3,6,8-9H2,1H3,(H,18,21)/t11-,14+/m0/s1.
What are the key properties of (3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94660919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).