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

C16H15FN2O2 — CID 107211343

IUPAC4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c(F)c1
InChIInChI=1S/C16H15FN2O2/c17-13-8-10(18)5-6-12(13)16(21)19-15-11-4-2-1-3-9(11)7-14(15)20/h1-6,8,14-15,20H,7,18H2,(H,19,21)/t14-,15+/m1/s1
InChIKeyVFOJPLBGVVKQDE-CABCVRRESA-N
MW286.31 g/mol
LogP1.80
Rot. Bonds2

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

4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 107211343) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID107211343
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c(F)c1
InChIInChI=1S/C16H15FN2O2/c17-13-8-10(18)5-6-12(13)16(21)19-15-11-4-2-1-3-9(11)7-14(15)20/h1-6,8,14-15,20H,7,18H2,(H,19,21)/t14-,15+/m1/s1
InChIKeyVFOJPLBGVVKQDE-CABCVRRESA-N
XLogP1.80
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107677059
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
2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197
2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211481
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
3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane
CID 144548156
4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103860602
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787
2-bromo-6-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 115867109
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 4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (CID 107211343) is 4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is Nc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c(F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is VFOJPLBGVVKQDE-CABCVRRESA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-13-8-10(18)5-6-12(13)16(21)19-15-11-4-2-1-3-9(11)7-14(15)20/h1-6,8,14-15,20H,7,18H2,(H,19,21)/t14-,15+/m1/s1.
What are the key properties of 4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 286.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 107211343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).