N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide

C22H19N3O4 — CID 136961622

IUPACN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C22H19N3O4/c1-14-6-9-16(10-7-14)21(28)24-18-5-3-2-4-17(18)22(29)25-23-13-15-8-11-19(26)20(27)12-15/h2-13,26-27H,1H3,(H,24,28)(H,25,29)/b23-13+
InChIKeyARVYRMFRXKLXDS-YDZHTSKRSA-N
MW389.41 g/mol
LogP3.42
Rot. Bonds5

About N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide (PubChem CID 136961622) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide
PubChem CID136961622
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C22H19N3O4/c1-14-6-9-16(10-7-14)21(28)24-18-5-3-2-4-17(18)22(29)25-23-13-15-8-11-19(26)20(27)12-15/h2-13,26-27H,1H3,(H,24,28)(H,25,29)/b23-13+
InChIKeyARVYRMFRXKLXDS-YDZHTSKRSA-N
XLogP3.42
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
Benzamide, 4-methyl-N-[3-(4-hydroxybenzylidenhydrazinocarbonyl)phenyl]-
CID 135419955
2-[(2-hydroxybenzylidene)amino]-N-phenylbenzamide
CID 721905
2-[(3-hydroxybenzylidene)amino]-N-phenylbenzamide
CID 780510
3-[[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-propylquinazolin-4-one
CID 135449585
N-(2-{[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]carbonyl}phenyl)-4-methoxybenzamide
CID 135510994
N-(3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135693604
N-(4-{[2-(3-hydroxy-4-methoxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875720
N-(4-{[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418716
2-[(2-hydroxy-3-methoxybenzylidene)amino]-N-phenylbenzamide
CID 631417
N-(4-{N'-[(E)-(4-Hydroxyphenyl)methylidene]hydrazinecarbonyl}phenyl)-2-methylbenzamide
CID 135560243

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide?
The IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide (CID 136961622) is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(O)c2)cc1.
What is the InChIKey of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide?
The InChIKey is ARVYRMFRXKLXDS-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-6-9-16(10-7-14)21(28)24-18-5-3-2-4-17(18)22(29)25-23-13-15-8-11-19(26)20(27)12-15/h2-13,26-27H,1H3,(H,24,28)(H,25,29)/b23-13+.
What are the key properties of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide?
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 389.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 136961622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).