3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide

C19H16N2O3 — CID 135673825

IUPAC3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(O)c1)c1ccc2ccccc2c1O
InChIInChI=1S/C19H16N2O3/c1-12(20-21-19(24)14-6-4-7-15(22)11-14)16-10-9-13-5-2-3-8-17(13)18(16)23/h2-11,22-23H,1H3,(H,21,24)/b20-12+
InChIKeyYQJPWBABIWGAOF-UDWIEESQSA-N
MW320.35 g/mol
LogP3.40
Rot. Bonds3

About 3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide

3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide (PubChem CID 135673825) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
PubChem CID135673825
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(O)c1)c1ccc2ccccc2c1O
InChIInChI=1S/C19H16N2O3/c1-12(20-21-19(24)14-6-4-7-15(22)11-14)16-10-9-13-5-2-3-8-17(13)18(16)23/h2-11,22-23H,1H3,(H,21,24)/b20-12+
InChIKeyYQJPWBABIWGAOF-UDWIEESQSA-N
XLogP3.40
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]ethanethioamide;N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-4-methylbenzamide;methane
CID 172984079
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide
CID 135601125
N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide
CID 135725831
2-[(E)-C-methyl-N-(2,3,4,5,6-pentafluoroanilino)carbonimidoyl]naphthalen-1-ol
CID 135811561
(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid
CID 102524211
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 4038488
N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 135574728
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide (CID 135673825) is 3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1cccc(O)c1)c1ccc2ccccc2c1O.
What is the InChIKey of 3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide?
The InChIKey is YQJPWBABIWGAOF-UDWIEESQSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12(20-21-19(24)14-6-4-7-15(22)11-14)16-10-9-13-5-2-3-8-17(13)18(16)23/h2-11,22-23H,1H3,(H,21,24)/b20-12+.
What are the key properties of 3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide?
3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide has a molecular weight of 320.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 135673825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).