4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide

C18H14N2O3 — CID 135542439

IUPAC4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C18H14N2O3/c21-14-8-5-12(6-9-14)18(23)20-19-11-13-7-10-17(22)16-4-2-1-3-15(13)16/h1-11,21-22H,(H,20,23)/b19-11+
InChIKeyPMRSYWYJQVXLOI-YBFXNURJSA-N
MW306.32 g/mol
LogP3.01
Rot. Bonds3

About 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide

4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 135542439) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID135542439
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C18H14N2O3/c21-14-8-5-12(6-9-14)18(23)20-19-11-13-7-10-17(22)16-4-2-1-3-15(13)16/h1-11,21-22H,(H,20,23)/b19-11+
InChIKeyPMRSYWYJQVXLOI-YBFXNURJSA-N
XLogP3.01
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

3,4-dihydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135442286
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
4-hydroxy-N-[(E)-(2-iodophenyl)methylideneamino]benzamide
CID 6906211
3-chloro-N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-4-hydroxybenzamide
CID 59092067
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid
CID 67483815
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
N-[(E)-(7-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137290368
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 135542439) is 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is PMRSYWYJQVXLOI-YBFXNURJSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-14-8-5-12(6-9-14)18(23)20-19-11-13-7-10-17(22)16-4-2-1-3-15(13)16/h1-11,21-22H,(H,20,23)/b19-11+.
What are the key properties of 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 306.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 135542439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).