2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide

C13H18N2O3 — CID 114793797

IUPAC2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESO=C(NCCC1CCCN1)c1ccc(O)cc1O
InChIInChI=1S/C13H18N2O3/c16-10-3-4-11(12(17)8-10)13(18)15-7-5-9-2-1-6-14-9/h3-4,8-9,14,16-17H,1-2,5-7H2,(H,15,18)
InChIKeyJCYMXWLUAYNJHK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.97
Rot. Bonds4

About 2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide

2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide (PubChem CID 114793797) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
PubChem CID114793797
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESO=C(NCCC1CCCN1)c1ccc(O)cc1O
InChIInChI=1S/C13H18N2O3/c16-10-3-4-11(12(17)8-10)13(18)15-7-5-9-2-1-6-14-9/h3-4,8-9,14,16-17H,1-2,5-7H2,(H,15,18)
InChIKeyJCYMXWLUAYNJHK-UHFFFAOYSA-N
XLogP0.97
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972264
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971649
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104955353
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide (CID 114793797) is 2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide is O=C(NCCC1CCCN1)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide?
The InChIKey is JCYMXWLUAYNJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-3-4-11(12(17)8-10)13(18)15-7-5-9-2-1-6-14-9/h3-4,8-9,14,16-17H,1-2,5-7H2,(H,15,18).
What are the key properties of 2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide?
2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide is sourced from PubChem (CID 114793797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).