N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide

C22H19N3O4 — CID 135479229

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C22H19N3O4/c1-29-17-12-10-15(11-13-17)21(27)24-19-8-4-3-7-18(19)22(28)25-23-14-16-6-2-5-9-20(16)26/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+
InChIKeyCJZXWDWULNPUJG-OEAKJJBVSA-N
MW389.41 g/mol
LogP3.42
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 135479229) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID135479229
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C22H19N3O4/c1-29-17-12-10-15(11-13-17)21(27)24-19-8-4-3-7-18(19)22(28)25-23-14-16-6-2-5-9-20(16)26/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+
InChIKeyCJZXWDWULNPUJG-OEAKJJBVSA-N
XLogP3.42
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 4997386
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 135715855
N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 23107609
N-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 136914355
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
CID 3596715
[4-bromo-2-[(Z)-[[2-[(4-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126003370
2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136677269
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide (CID 135479229) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is CJZXWDWULNPUJG-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-29-17-12-10-15(11-13-17)21(27)24-19-8-4-3-7-18(19)22(28)25-23-14-16-6-2-5-9-20(16)26/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 389.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 135479229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).