N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide

C21H18N2O3 — CID 135490325

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c1O
InChIInChI=1S/C21H18N2O3/c1-26-19-9-5-8-18(20(19)24)14-22-23-21(25)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-14,24H,1H3,(H,23,25)/b22-14+
InChIKeyANSUONDBHCOLOE-HYARGMPZSA-N
MW346.39 g/mol
LogP3.83
Rot. Bonds5

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 135490325) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID135490325
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c1O
InChIInChI=1S/C21H18N2O3/c1-26-19-9-5-8-18(20(19)24)14-22-23-21(25)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-14,24H,1H3,(H,23,25)/b22-14+
InChIKeyANSUONDBHCOLOE-HYARGMPZSA-N
XLogP3.83
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
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

(E)-3,4-Dihydroxy-N'-((2-methoxynaphthalen-1-YL)methylene)benzohydrazide
CID 9562794
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
2-[(E)-{2-[(3,4-dimethoxyphenyl)carbonyl]hydrazinylidene}methyl]benzoic acid
CID 6906996
N'-(2,3-dimethoxybenzylidene)-1-naphthohydrazide
CID 6874153
3-hydroxy-N'-[(E)-(3-phenoxyphenyl)methylidene]benzohydrazide
CID 6911430
4-hydroxy-3-methoxy-N'-[(E)-(3-phenoxyphenyl)methylidene]benzohydrazide
CID 25237444
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]naphthalene-1-carbohydrazide
CID 135489946
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135735439
2,3-Dihydroxybenzylidene-benzohydrazide
CID 336729
1-(2-Hydroxybenzoyl)-2-(2-hydroxy-3-methoxybenzal)hydrazine
CID 438716
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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide (CID 135490325) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide is COc1cccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is ANSUONDBHCOLOE-HYARGMPZSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-26-19-9-5-8-18(20(19)24)14-22-23-21(25)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-14,24H,1H3,(H,23,25)/b22-14+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 346.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 135490325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).