2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide

C18H14N2O3 — CID 17126515

IUPAC2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc2ccccc12)c1cc(O)ccc1O
InChIInChI=1S/C18H14N2O3/c21-14-8-9-17(22)16(10-14)18(23)20-19-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11,21-22H,(H,20,23)/b19-11+
InChIKeyYSYZPMYGOJBILY-YBFXNURJSA-N
MW306.32 g/mol
LogP3.01
Rot. Bonds3

About 2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide

2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide (PubChem CID 17126515) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
PubChem CID17126515
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc2ccccc12)c1cc(O)ccc1O
InChIInChI=1S/C18H14N2O3/c21-14-8-9-17(22)16(10-14)18(23)20-19-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11,21-22H,(H,20,23)/b19-11+
InChIKeyYSYZPMYGOJBILY-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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-[(E)-(7-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137290368
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 59091698
N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 135646993
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 5070346
2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 5402054
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
N-[(E)-(2-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135883082
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
CID 135457689
1-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135959919

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide (CID 17126515) is 2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide is O=C(N/N=C/c1cccc2ccccc12)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide?
The InChIKey is YSYZPMYGOJBILY-YBFXNURJSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-14-8-9-17(22)16(10-14)18(23)20-19-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11,21-22H,(H,20,23)/b19-11+.
What are the key properties of 2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide?
2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]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 2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide is sourced from PubChem (CID 17126515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).