N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide

C19H19N3O4 — CID 135478329

IUPACN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESC/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1O
InChIInChI=1S/C19H19N3O4/c1-12(16-9-8-15(23)11-17(16)24)20-21-19(26)13-4-6-14(7-5-13)22-10-2-3-18(22)25/h4-9,11,23-24H,2-3,10H2,1H3,(H,21,26)/b20-12+
InChIKeyRCCXAMIMIQEEMJ-UDWIEESQSA-N
MW353.38 g/mol
LogP2.38
Rot. Bonds4

About N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 135478329) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID135478329
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESC/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1O
InChIInChI=1S/C19H19N3O4/c1-12(16-9-8-15(23)11-17(16)24)20-21-19(26)13-4-6-14(7-5-13)22-10-2-3-18(22)25/h4-9,11,23-24H,2-3,10H2,1H3,(H,21,26)/b20-12+
InChIKeyRCCXAMIMIQEEMJ-UDWIEESQSA-N
XLogP2.38
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'}

Analyze N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)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

Acyl Hydrazone, 10
CID 11404599
N-(4-{[2-(2,4-dihydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418715
4-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135620064
4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6903298
3,5-dihydroxy-N-[1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 25237601
4-(diethylamino)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135521630
2,4-dihydroxy-N'-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}benzohydrazide
CID 135544679
N-(3-{[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]carbonyl}phenyl)-2-fluorobenzamide
CID 135419954
4-{2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazino}-N-(2-methylphenyl)-4-oxobutanamide
CID 135458891
4AcNPhCON2 4OHP
CID 135452565
4-(1,3-dihydro-2H-isoindol-2-yl)-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135470793
N-[(E)-[4-(diethylamino)-2-hydroxy-phenyl]methyleneamino]-2,4-dihydroxy-benzamide
CID 136379391

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 135478329) is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide is C/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is RCCXAMIMIQEEMJ-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(16-9-8-15(23)11-17(16)24)20-21-19(26)13-4-6-14(7-5-13)22-10-2-3-18(22)25/h4-9,11,23-24H,2-3,10H2,1H3,(H,21,26)/b20-12+.
What are the key properties of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 135478329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).