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

C16H14INO3 — CID 103525566

IUPAC2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(I)ccc1O
InChIInChI=1S/C16H14INO3/c17-10-5-6-13(19)12(8-10)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
InChIKeyNWYABBQUAHPNFO-LSDHHAIUSA-N
MW395.20 g/mol
LogP2.38
Rot. Bonds2

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

2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide (PubChem CID 103525566) has the molecular formula C16H14INO3 and a molecular weight of 395.20 g/mol. Its IUPAC name is 2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide
PubChem CID103525566
Molecular FormulaC16H14INO3
Molecular Weight395.20 g/mol
Exact Mass395.00
IUPAC Name2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(I)ccc1O
InChIInChI=1S/C16H14INO3/c17-10-5-6-13(19)12(8-10)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
InChIKeyNWYABBQUAHPNFO-LSDHHAIUSA-N
XLogP2.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211481
2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107677059
3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 103863026
2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197
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-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
CID 103816856
4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211343
2-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide
CID 103862955

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide?
The IUPAC name of 2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide (CID 103525566) is 2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide.
What is the SMILES notation for 2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide?
The canonical SMILES for 2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide is O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide?
The InChIKey is NWYABBQUAHPNFO-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H14INO3/c17-10-5-6-13(19)12(8-10)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-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide?
2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide has a molecular weight of 395.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-iodobenzamide is sourced from PubChem (CID 103525566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).