2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide

C13H17NO3 — CID 107723891

IUPAC2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(O)ccc2O)C1
InChIInChI=1S/C13H17NO3/c1-8-2-3-9(6-8)14-13(17)11-7-10(15)4-5-12(11)16/h4-5,7-9,15-16H,2-3,6H2,1H3,(H,14,17)
InChIKeyURSUVGDKHNELIP-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.02
Rot. Bonds2

About 2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide

2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide (PubChem CID 107723891) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide
PubChem CID107723891
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(O)ccc2O)C1
InChIInChI=1S/C13H17NO3/c1-8-2-3-9(6-8)14-13(17)11-7-10(15)4-5-12(11)16/h4-5,7-9,15-16H,2-3,6H2,1H3,(H,14,17)
InChIKeyURSUVGDKHNELIP-UHFFFAOYSA-N
XLogP2.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723193
2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide
CID 107721922
2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
CID 114108164
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 107722644
N-(3-ethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723198
2-amino-5-hydroxy-N-(3-methylcyclobutyl)benzamide
CID 107076024
5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768
2,5-dihydroxy-N-(thian-3-yl)benzamide
CID 107723796
2,3,4,5-tetrafluoro-N-(3-methylcyclopentyl)benzamide
CID 114549525
2,5-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 107722870
N-(1,1-dioxothian-3-yl)-2,5-dihydroxybenzamide
CID 107723081

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide (CID 107723891) is 2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide is CC1CCC(NC(=O)c2cc(O)ccc2O)C1.
What is the InChIKey of 2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide?
The InChIKey is URSUVGDKHNELIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-2-3-9(6-8)14-13(17)11-7-10(15)4-5-12(11)16/h4-5,7-9,15-16H,2-3,6H2,1H3,(H,14,17).
What are the key properties of 2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide?
2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide has a molecular weight of 235.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide is sourced from PubChem (CID 107723891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).