3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide

C16H15NO3 — CID 61367973

IUPAC3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESO=C(NC1c2ccccc2CC1O)c1cccc(O)c1
InChIInChI=1S/C16H15NO3/c18-12-6-3-5-11(8-12)16(20)17-15-13-7-2-1-4-10(13)9-14(15)19/h1-8,14-15,18-19H,9H2,(H,17,20)
InChIKeyJMNFRQZWEKRVDI-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.78
Rot. Bonds2

About 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide

3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide (PubChem CID 61367973) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
PubChem CID61367973
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESO=C(NC1c2ccccc2CC1O)c1cccc(O)c1
InChIInChI=1S/C16H15NO3/c18-12-6-3-5-11(8-12)16(20)17-15-13-7-2-1-4-10(13)9-14(15)19/h1-8,14-15,18-19H,9H2,(H,17,20)
InChIKeyJMNFRQZWEKRVDI-UHFFFAOYSA-N
XLogP1.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816870
3-(chloromethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107216797
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 110903627
N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxybenzamide
CID 104694737
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
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yloxybenzamide
CID 136512292
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide (CID 61367973) is 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide is O=C(NC1c2ccccc2CC1O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
The InChIKey is JMNFRQZWEKRVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-12-6-3-5-11(8-12)16(20)17-15-13-7-2-1-4-10(13)9-14(15)19/h1-8,14-15,18-19H,9H2,(H,17,20).
What are the key properties of 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide has a molecular weight of 269.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide is sourced from PubChem (CID 61367973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).