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

C23H21N3O4 — CID 4614561

IUPAC2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21N3O4/c1-29-18-11-7-16(8-12-18)15-24-26-23(28)20-5-3-4-6-21(20)25-22(27)17-9-13-19(30-2)14-10-17/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKeyWCELGPUJPJRCBV-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.72
Rot. Bonds7

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

2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 4614561) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
PubChem CID4614561
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21N3O4/c1-29-18-11-7-16(8-12-18)15-24-26-23(28)20-5-3-4-6-21(20)25-22(27)17-9-13-19(30-2)14-10-17/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKeyWCELGPUJPJRCBV-UHFFFAOYSA-N
XLogP3.72
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
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-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 135479229
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-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 4997386
2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 5379610
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 23107441
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
2-[(4-chlorobenzoyl)amino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136678597
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 137101903
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide (CID 4614561) is 2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is WCELGPUJPJRCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-29-18-11-7-16(8-12-18)15-24-26-23(28)20-5-3-4-6-21(20)25-22(27)17-9-13-19(30-2)14-10-17/h3-15H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide?
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 403.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4614561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).