2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide

C16H17NO4 — CID 107689573

IUPAC2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CCCO)c1)c1c(O)cccc1O
InChIInChI=1S/C16H17NO4/c18-9-3-5-11-4-1-6-12(10-11)17-16(21)15-13(19)7-2-8-14(15)20/h1-2,4,6-8,10,18-20H,3,5,9H2,(H,17,21)
InChIKeyBWNUUBKDQNSATA-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.28
Rot. Bonds5

About 2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide

2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide (PubChem CID 107689573) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
PubChem CID107689573
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CCCO)c1)c1c(O)cccc1O
InChIInChI=1S/C16H17NO4/c18-9-3-5-11-4-1-6-12(10-11)17-16(21)15-13(19)7-2-8-14(15)20/h1-2,4,6-8,10,18-20H,3,5,9H2,(H,17,21)
InChIKeyBWNUUBKDQNSATA-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

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Related Compounds

2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 114344635
N-[3-(3-hydroxypropyl)phenyl]thiophene-3-carboxamide
CID 113372023
N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide
CID 114028588
5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide
CID 107372169
2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide
CID 107905690
N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide
CID 114345344
N-[3-(2-hydroxyethyl)phenyl]benzamide
CID 139896443
N-(3-acetamidophenyl)-2,6-dihydroxybenzamide
CID 103748896
2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide
CID 105387248
N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide
CID 113397733
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016950

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide (CID 107689573) is 2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide is O=C(Nc1cccc(CCCO)c1)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide?
The InChIKey is BWNUUBKDQNSATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-9-3-5-11-4-1-6-12(10-11)17-16(21)15-13(19)7-2-8-14(15)20/h1-2,4,6-8,10,18-20H,3,5,9H2,(H,17,21).
What are the key properties of 2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide?
2,6-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 2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide is sourced from PubChem (CID 107689573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).