3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide

C19H12N2O3 — CID 2552582

IUPAC3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide
SMILESO=C(NN=C1C(=O)c2cccc3cccc1c23)c1cccc(O)c1
InChIInChI=1S/C19H12N2O3/c22-13-7-1-6-12(10-13)19(24)21-20-17-14-8-2-4-11-5-3-9-15(16(11)14)18(17)23/h1-10,22H,(H,21,24)
InChIKeyLOYFLUBHRRACPS-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.88
Rot. Bonds2

About 3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide

3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide (PubChem CID 2552582) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide
PubChem CID2552582
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide
SMILESO=C(NN=C1C(=O)c2cccc3cccc1c23)c1cccc(O)c1
InChIInChI=1S/C19H12N2O3/c22-13-7-1-6-12(10-13)19(24)21-20-17-14-8-2-4-11-5-3-9-15(16(11)14)18(17)23/h1-10,22H,(H,21,24)
InChIKeyLOYFLUBHRRACPS-UHFFFAOYSA-N
XLogP2.88
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(fluoren-9-ylideneamino)-3-hydroxybenzamide
CID 2695979
3-(diethylsulfamoyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
CID 6901929
N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide
CID 2527054
3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide
CID 6218664
(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]acenaphthylen-1-one
CID 9466512
N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide
CID 9156024
2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6173888
(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one
CID 6509374
2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6156122
N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929889
(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid
CID 102524211
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
The IUPAC name of 3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide (CID 2552582) is 3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide is O=C(NN=C1C(=O)c2cccc3cccc1c23)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
The InChIKey is LOYFLUBHRRACPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-13-7-1-6-12(10-13)19(24)21-20-17-14-8-2-4-11-5-3-9-15(16(11)14)18(17)23/h1-10,22H,(H,21,24).
What are the key properties of 3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide has a molecular weight of 316.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide is sourced from PubChem (CID 2552582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).