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

C10H13NO4 — CID 114344897

IUPAC2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1cccc(O)c1O
InChIInChI=1S/C10H13NO4/c1-6(12)5-11-10(15)7-3-2-4-8(13)9(7)14/h2-4,6,12-14H,5H2,1H3,(H,11,15)
InChIKeyBQIKVQLJPOKGBK-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.21
Rot. Bonds3

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

2,3-dihydroxy-N-(2-hydroxypropyl)benzamide (PubChem CID 114344897) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
PubChem CID114344897
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1cccc(O)c1O
InChIInChI=1S/C10H13NO4/c1-6(12)5-11-10(15)7-3-2-4-8(13)9(7)14/h2-4,6,12-14H,5H2,1H3,(H,11,15)
InChIKeyBQIKVQLJPOKGBK-UHFFFAOYSA-N
XLogP0.21
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.21
H-Bond Donors ≤ 54
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

2,3-dihydroxy-N-(2-hydroxypropyl)benzamide;N-[3-(3-formamidopropylamino)propyl]-2,3-dihydroxybenzamide
CID 145201876
N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide
CID 114344939
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224
2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031297
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
2,3-dihydroxy-N-[3-(propan-2-ylamino)propyl]benzamide
CID 90364861

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide (CID 114344897) is 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide is CC(O)CNC(=O)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide?
The InChIKey is BQIKVQLJPOKGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6(12)5-11-10(15)7-3-2-4-8(13)9(7)14/h2-4,6,12-14H,5H2,1H3,(H,11,15).
What are the key properties of 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide?
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide has a molecular weight of 211.22 g/mol, XLogP of 0.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(2-hydroxypropyl)benzamide is sourced from PubChem (CID 114344897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).