2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

C16H13F2NO2 — CID 95934372

IUPAC2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@H]1CCc2c(O)cccc21)c1c(F)cccc1F
InChIInChI=1S/C16H13F2NO2/c17-11-4-2-5-12(18)15(11)16(21)19-13-8-7-10-9(13)3-1-6-14(10)20/h1-6,13,20H,7-8H2,(H,19,21)/t13-/m0/s1
InChIKeyFPVVRNDKEISXLQ-ZDUSSCGKSA-N
MW289.28 g/mol
LogP3.09
Rot. Bonds2

About 2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 95934372) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID95934372
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@H]1CCc2c(O)cccc21)c1c(F)cccc1F
InChIInChI=1S/C16H13F2NO2/c17-11-4-2-5-12(18)15(11)16(21)19-13-8-7-10-9(13)3-1-6-14(10)20/h1-6,13,20H,7-8H2,(H,19,21)/t13-/m0/s1
InChIKeyFPVVRNDKEISXLQ-ZDUSSCGKSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 86951089
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517025
N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
CID 96517026
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide
CID 104916741
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 94198155
4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86949752
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 95769416
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 60945188
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 142729745
5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide
CID 95769418

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (CID 95934372) is 2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(N[C@H]1CCc2c(O)cccc21)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is FPVVRNDKEISXLQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-11-4-2-5-12(18)15(11)16(21)19-13-8-7-10-9(13)3-1-6-14(10)20/h1-6,13,20H,7-8H2,(H,19,21)/t13-/m0/s1.
What are the key properties of 2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 289.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 95934372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).