2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide

C13H17NO4 — CID 114344265

IUPAC2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide
SMILESCOC1CCCC1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C13H17NO4/c1-18-11-7-3-5-9(11)14-13(17)8-4-2-6-10(15)12(8)16/h2,4,6,9,11,15-16H,3,5,7H2,1H3,(H,14,17)
InChIKeyIKNLEMJCEXENIP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.40
Rot. Bonds3

About 2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide

2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide (PubChem CID 114344265) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide
PubChem CID114344265
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide
SMILESCOC1CCCC1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C13H17NO4/c1-18-11-7-3-5-9(11)14-13(17)8-4-2-6-10(15)12(8)16/h2,4,6,9,11,15-16H,3,5,7H2,1H3,(H,14,17)
InChIKeyIKNLEMJCEXENIP-UHFFFAOYSA-N
XLogP1.40
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-N-(2-methoxycyclopentyl)naphthalene-2-carboxamide
CID 62086836
2-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086922
2,5-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 107722870
5-chloro-2-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087187
2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
CID 55069206
N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide
CID 97006278
4-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087188
N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide
CID 114345275
2-amino-N-(2-methoxycyclopentyl)-3-nitrobenzamide
CID 115694309
2-[(2,3-dihydroxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 114343415
3-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086745
2-fluoro-N-(2-methoxycyclopentyl)-4-sulfamoylbenzamide
CID 62088634

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide (CID 114344265) is 2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide is COC1CCCC1NC(=O)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide?
The InChIKey is IKNLEMJCEXENIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-18-11-7-3-5-9(11)14-13(17)8-4-2-6-10(15)12(8)16/h2,4,6,9,11,15-16H,3,5,7H2,1H3,(H,14,17).
What are the key properties of 2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide?
2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide has a molecular weight of 251.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide is sourced from PubChem (CID 114344265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).