2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

C16H16N2O3 — CID 107211481

IUPAC2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNc1ccc(O)cc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H16N2O3/c17-13-6-5-10(19)8-12(13)16(21)18-15-11-4-2-1-3-9(11)7-14(15)20/h1-6,8,14-15,19-20H,7,17H2,(H,18,21)/t14-,15+/m0/s1
InChIKeyFANLVVUECHLFBA-LSDHHAIUSA-N
MW284.32 g/mol
LogP1.36
Rot. Bonds2

About 2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 107211481) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID107211481
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNc1ccc(O)cc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H16N2O3/c17-13-6-5-10(19)8-12(13)16(21)18-15-11-4-2-1-3-9(11)7-14(15)20/h1-6,8,14-15,19-20H,7,17H2,(H,18,21)/t14-,15+/m0/s1
InChIKeyFANLVVUECHLFBA-LSDHHAIUSA-N
XLogP1.36
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973
2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197
4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211343
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 107221728
2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide
CID 103525566
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
2-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide
CID 103862955
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiophene-3-carboxamide
CID 97065228
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-nitrobenzamide
CID 110906535

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (CID 107211481) is 2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is Nc1ccc(O)cc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is FANLVVUECHLFBA-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-13-6-5-10(19)8-12(13)16(21)18-15-11-4-2-1-3-9(11)7-14(15)20/h1-6,8,14-15,19-20H,7,17H2,(H,18,21)/t14-,15+/m0/s1.
What are the key properties of 2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 284.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 107211481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).