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

C16H14FNO3 — CID 107677059

IUPAC2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(O)cc1F
InChIInChI=1S/C16H14FNO3/c17-13-8-10(19)5-6-12(13)16(21)18-15-11-4-2-1-3-9(11)7-14(15)20/h1-6,8,14-15,19-20H,7H2,(H,18,21)/t14-,15+/m0/s1
InChIKeyLJCXZHRKKFLILW-LSDHHAIUSA-N
MW287.29 g/mol
LogP1.92
Rot. Bonds2

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

2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 107677059) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID107677059
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(O)cc1F
InChIInChI=1S/C16H14FNO3/c17-13-8-10(19)5-6-12(13)16(21)18-15-11-4-2-1-3-9(11)7-14(15)20/h1-6,8,14-15,19-20H,7H2,(H,18,21)/t14-,15+/m0/s1
InChIKeyLJCXZHRKKFLILW-LSDHHAIUSA-N
XLogP1.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211343
2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211481
N-(2,3-dihydro-1H-inden-2-yl)-2-fluoro-4-hydroxybenzamide
CID 104694744
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
2,3-difluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 62660008
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973
2,6-difluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816872
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide
CID 111970090
2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787
2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide
CID 103525566
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (CID 107677059) is 2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is LJCXZHRKKFLILW-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-13-8-10(19)5-6-12(13)16(21)18-15-11-4-2-1-3-9(11)7-14(15)20/h1-6,8,14-15,19-20H,7H2,(H,18,21)/t14-,15+/m0/s1.
What are the key properties of 2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 287.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 107677059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).