2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide

C13H18N2O3 — CID 107721874

IUPAC2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(O)ccc1O)C1CCNC1
InChIInChI=1S/C13H18N2O3/c1-8(9-4-5-14-7-9)15-13(18)11-6-10(16)2-3-12(11)17/h2-3,6,8-9,14,16-17H,4-5,7H2,1H3,(H,15,18)
InChIKeyUNJXTOPGRLEPOM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.83
Rot. Bonds3

About 2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide

2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide (PubChem CID 107721874) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide
PubChem CID107721874
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(O)ccc1O)C1CCNC1
InChIInChI=1S/C13H18N2O3/c1-8(9-4-5-14-7-9)15-13(18)11-6-10(16)2-3-12(11)17/h2-3,6,8-9,14,16-17H,4-5,7H2,1H3,(H,15,18)
InChIKeyUNJXTOPGRLEPOM-UHFFFAOYSA-N
XLogP0.83
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(1-piperidin-4-ylethyl)benzamide
CID 43523239
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
4-fluoro-2-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014713
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 113360884
2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107722174
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
2-hydroxy-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523069
2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474046
4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 167775279
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 55144400
2-fluoro-4-methoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474156

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide (CID 107721874) is 2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide is CC(NC(=O)c1cc(O)ccc1O)C1CCNC1.
What is the InChIKey of 2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is UNJXTOPGRLEPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(9-4-5-14-7-9)15-13(18)11-6-10(16)2-3-12(11)17/h2-3,6,8-9,14,16-17H,4-5,7H2,1H3,(H,15,18).
What are the key properties of 2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide?
2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 107721874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).