2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide

C20H16N2O4 — CID 25252441

IUPAC2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(O)cc1O
InChIInChI=1S/C20H16N2O4/c23-15-9-10-18(19(24)12-15)20(25)22-21-13-14-5-4-8-17(11-14)26-16-6-2-1-3-7-16/h1-13,23-24H,(H,22,25)/b21-13+
InChIKeySTXWTIMHPXCLLH-FYJGNVAPSA-N
MW348.36 g/mol
LogP3.65
Rot. Bonds5

About 2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide

2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide (PubChem CID 25252441) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
PubChem CID25252441
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(O)cc1O
InChIInChI=1S/C20H16N2O4/c23-15-9-10-18(19(24)12-15)20(25)22-21-13-14-5-4-8-17(11-14)26-16-6-2-1-3-7-16/h1-13,23-24H,(H,22,25)/b21-13+
InChIKeySTXWTIMHPXCLLH-FYJGNVAPSA-N
XLogP3.65
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-(Benzyloxy)benzylidene)-4-hydroxybenzohydrazide
CID 6900270
3-Cyano-4-hydroxy-benzoic acid [4-(4-isopropyl-benzyloxy)-3,5-dimethoxy-benzylidene]-hydrazide
CID 10073574
4-(benzyloxy)-N'-[(E)-phenylmethylidene]benzohydrazide
CID 9598505
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
CID 2401210
3-hydroxy-N'-[(E)-(3-phenoxyphenyl)methylidene]benzohydrazide
CID 6911430
Benzoic acid 2-[(4-methoxy-benzoyl)-hydrazonomethyl]-phenyl ester
CID 9558377
(2Z)-2-[(2-hydroxybenzoyl)hydrazono]-2H-chromene-3-carboxamide
CID 9629545
4-hydroxy-3-methoxy-N'-[(E)-(3-phenoxyphenyl)methylidene]benzohydrazide
CID 25237444
N''-(4-(4-isopropylbenzyloxy)-3,5-dimethoxybenzylidene)-4-hydroxybenzohydrazide
CID 44373502
3-Fluoro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl-benzyloxy)-3,5-dimethoxy-phenyl]-meth-(E)-ylidene]-hydrazide
CID 44373547
2,3-Difluoro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl-benzyloxy)-3,5-dimethoxy-phenyl]-meth-(E)-ylidene]-hydrazide
CID 44373730
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-2-hydroxybenzohydrazide
CID 135459120

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide (CID 25252441) is 2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The InChIKey is STXWTIMHPXCLLH-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-15-9-10-18(19(24)12-15)20(25)22-21-13-14-5-4-8-17(11-14)26-16-6-2-1-3-7-16/h1-13,23-24H,(H,22,25)/b21-13+.
What are the key properties of 2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide has a molecular weight of 348.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 25252441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).