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

C17H16FNO2 — CID 103816885

IUPAC4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)ccc1F
InChIInChI=1S/C17H16FNO2/c1-10-8-12(6-7-14(10)18)17(21)19-16-13-5-3-2-4-11(13)9-15(16)20/h2-8,15-16,20H,9H2,1H3,(H,19,21)/t15-,16+/m0/s1
InChIKeyUQROOKRRSRYHPT-JKSUJKDBSA-N
MW285.32 g/mol
LogP2.52
Rot. Bonds2

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

4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide (PubChem CID 103816885) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
PubChem CID103816885
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)ccc1F
InChIInChI=1S/C17H16FNO2/c1-10-8-12(6-7-14(10)18)17(21)19-16-13-5-3-2-4-11(13)9-15(16)20/h2-8,15-16,20H,9H2,1H3,(H,19,21)/t15-,16+/m0/s1
InChIKeyUQROOKRRSRYHPT-JKSUJKDBSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane
CID 144548156
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740
4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103860602
3-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide
CID 110903576
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methyl-4-nitrobenzamide
CID 78893635
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 111696432

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide (CID 103816885) is 4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide is Cc1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)ccc1F.
What is the InChIKey of 4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide?
The InChIKey is UQROOKRRSRYHPT-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-10-8-12(6-7-14(10)18)17(21)19-16-13-5-3-2-4-11(13)9-15(16)20/h2-8,15-16,20H,9H2,1H3,(H,19,21)/t15-,16+/m0/s1.
What are the key properties of 4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide?
4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide has a molecular weight of 285.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide is sourced from PubChem (CID 103816885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).