1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide

C20H19FN2O2 — CID 95614509

IUPAC1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N[C@H]3CCc4ccc(F)cc43)ccc21
InChIInChI=1S/C20H19FN2O2/c1-12(24)23-9-8-14-10-15(4-7-19(14)23)20(25)22-18-6-3-13-2-5-16(21)11-17(13)18/h2,4-5,7,10-11,18H,3,6,8-9H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyGKBILACOUBPGDG-SFHVURJKSA-N
MW338.38 g/mol
LogP3.15
Rot. Bonds2

About 1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 95614509) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
PubChem CID95614509
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N[C@H]3CCc4ccc(F)cc43)ccc21
InChIInChI=1S/C20H19FN2O2/c1-12(24)23-9-8-14-10-15(4-7-19(14)23)20(25)22-18-6-3-13-2-5-16(21)11-17(13)18/h2,4-5,7,10-11,18H,3,6,8-9H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyGKBILACOUBPGDG-SFHVURJKSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide (CID 95614509) is 1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)N[C@H]3CCc4ccc(F)cc43)ccc21.
What is the InChIKey of 1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is GKBILACOUBPGDG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-12(24)23-9-8-14-10-15(4-7-19(14)23)20(25)22-18-6-3-13-2-5-16(21)11-17(13)18/h2,4-5,7,10-11,18H,3,6,8-9H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of 1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 95614509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).