3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

C17H17NO3 — CID 103956267

IUPAC3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESO=C(NC1CCc2ccccc2C1)c1ccc(O)c(O)c1
InChIInChI=1S/C17H17NO3/c19-15-8-6-13(10-16(15)20)17(21)18-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14,19-20H,5,7,9H2,(H,18,21)
InChIKeyKNEOSZICESNPTH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.39
Rot. Bonds2

About 3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 103956267) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
PubChem CID103956267
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESO=C(NC1CCc2ccccc2C1)c1ccc(O)c(O)c1
InChIInChI=1S/C17H17NO3/c19-15-8-6-13(10-16(15)20)17(21)18-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14,19-20H,5,7,9H2,(H,18,21)
InChIKeyKNEOSZICESNPTH-UHFFFAOYSA-N
XLogP2.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 10493163
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62304579
3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62305417
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
CID 71902026
N-cyclopentyl-3,4-dihydroxybenzamide
CID 113199189
4-hydroxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103865106
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 22318688
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 106501740
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybenzamide
CID 104694730
4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509717

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (CID 103956267) is 3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is O=C(NC1CCc2ccccc2C1)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is KNEOSZICESNPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-15-8-6-13(10-16(15)20)17(21)18-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14,19-20H,5,7,9H2,(H,18,21).
What are the key properties of 3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 103956267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).