2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide

C16H17NO4 — CID 114344635

IUPAC2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CCCO)c1)c1cccc(O)c1O
InChIInChI=1S/C16H17NO4/c18-9-3-5-11-4-1-6-12(10-11)17-16(21)13-7-2-8-14(19)15(13)20/h1-2,4,6-8,10,18-20H,3,5,9H2,(H,17,21)
InChIKeyDZAUGTBZVMUHMF-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.28
Rot. Bonds5

About 2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide

2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide (PubChem CID 114344635) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
PubChem CID114344635
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CCCO)c1)c1cccc(O)c1O
InChIInChI=1S/C16H17NO4/c18-9-3-5-11-4-1-6-12(10-11)17-16(21)13-7-2-8-14(19)15(13)20/h1-2,4,6-8,10,18-20H,3,5,9H2,(H,17,21)
InChIKeyDZAUGTBZVMUHMF-UHFFFAOYSA-N
XLogP2.28
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.28
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'}

Analyze 2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]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

N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide
CID 114345344
2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 107689573
N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016950
2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide
CID 105387248
N-[3-(3-hydroxypropyl)phenyl]thiophene-3-carboxamide
CID 113372023
5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide
CID 107372169
2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide
CID 107905690
4-[[3-(3-hydroxypropyl)anilino]methyl]benzene-1,2,3-triol
CID 107730994
N-(3-ethynylphenyl)-2,3-dihydroxybenzamide
CID 114343731
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60715835
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide (CID 114344635) is 2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide is O=C(Nc1cccc(CCCO)c1)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide?
The InChIKey is DZAUGTBZVMUHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-9-3-5-11-4-1-6-12(10-11)17-16(21)13-7-2-8-14(19)15(13)20/h1-2,4,6-8,10,18-20H,3,5,9H2,(H,17,21).
What are the key properties of 2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide?
2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide has a molecular weight of 287.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide is sourced from PubChem (CID 114344635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).