3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide

C17H17NO3 — CID 111696432

IUPAC3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
SMILESCc1cc(O)cc(C(=O)NC2c3ccccc3CC2O)c1
InChIInChI=1S/C17H17NO3/c1-10-6-12(8-13(19)7-10)17(21)18-16-14-5-3-2-4-11(14)9-15(16)20/h2-8,15-16,19-20H,9H2,1H3,(H,18,21)
InChIKeyYJJHFSPFCSHVNY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.09
Rot. Bonds2

About 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide

3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide (PubChem CID 111696432) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
PubChem CID111696432
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
SMILESCc1cc(O)cc(C(=O)NC2c3ccccc3CC2O)c1
InChIInChI=1S/C17H17NO3/c1-10-6-12(8-13(19)7-10)17(21)18-16-14-5-3-2-4-11(14)9-15(16)20/h2-8,15-16,19-20H,9H2,1H3,(H,18,21)
InChIKeyYJJHFSPFCSHVNY-UHFFFAOYSA-N
XLogP2.09
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methyl-5-nitrobenzamide
CID 111696318
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 114302102
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-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
CID 103816885
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methyl-4-nitrobenzamide
CID 78893635
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 111798540

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide (CID 111696432) is 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide is Cc1cc(O)cc(C(=O)NC2c3ccccc3CC2O)c1.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide?
The InChIKey is YJJHFSPFCSHVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-10-6-12(8-13(19)7-10)17(21)18-16-14-5-3-2-4-11(14)9-15(16)20/h2-8,15-16,19-20H,9H2,1H3,(H,18,21).
What are the key properties of 3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide?
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.09, 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)-5-methylbenzamide is sourced from PubChem (CID 111696432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).