2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide

C13H18N2O3 — CID 107721880

IUPAC2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(O)ccc2O)CCCN1
InChIInChI=1S/C13H18N2O3/c1-13(5-2-6-15-13)8-14-12(18)10-7-9(16)3-4-11(10)17/h3-4,7,15-17H,2,5-6,8H2,1H3,(H,14,18)
InChIKeyXADMKCRXHAPYGQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.97
Rot. Bonds3

About 2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide

2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 107721880) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID107721880
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(O)ccc2O)CCCN1
InChIInChI=1S/C13H18N2O3/c1-13(5-2-6-15-13)8-14-12(18)10-7-9(16)3-4-11(10)17/h3-4,7,15-17H,2,5-6,8H2,1H3,(H,14,18)
InChIKeyXADMKCRXHAPYGQ-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
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-4-methoxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 114761721
2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 114761726
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
N-[(2-methylpyrrolidin-2-yl)methyl]furan-3-carboxamide
CID 114761851
3-methoxy-4-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 114761937
N-[(2-methylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 114761880
N-[(2-methylpyrrolidin-2-yl)methyl]propanamide
CID 114761754
5-fluoro-2-hydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103739179
2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 107677215
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
N-(cyanomethyl)-2,5-dihydroxybenzamide
CID 103892329
1-(3-methylbutan-2-yl)-3-[(2-methylpyrrolidin-2-yl)methyl]urea
CID 165463454

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide (CID 107721880) is 2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide is CC1(CNC(=O)c2cc(O)ccc2O)CCCN1.
What is the InChIKey of 2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is XADMKCRXHAPYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(5-2-6-15-13)8-14-12(18)10-7-9(16)3-4-11(10)17/h3-4,7,15-17H,2,5-6,8H2,1H3,(H,14,18).
What are the key properties of 2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide?
2,5-dihydroxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.97, 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-[(2-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 107721880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).