2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide

C26H21N3O3 — CID 4997386

IUPAC2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C26H21N3O3/c1-32-21-15-13-19(14-16-21)25(30)28-24-12-5-4-11-23(24)26(31)29-27-17-20-9-6-8-18-7-2-3-10-22(18)20/h2-17H,1H3,(H,28,30)(H,29,31)
InChIKeyOJCOCTZYGNZWLX-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.86
Rot. Bonds6

About 2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide

2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide (PubChem CID 4997386) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide
PubChem CID4997386
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C26H21N3O3/c1-32-21-15-13-19(14-16-21)25(30)28-24-12-5-4-11-23(24)26(31)29-27-17-20-9-6-8-18-7-2-3-10-22(18)20/h2-17H,1H3,(H,28,30)(H,29,31)
InChIKeyOJCOCTZYGNZWLX-UHFFFAOYSA-N
XLogP4.86
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 23107609
N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5244598
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 135715855
N-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 136914355
[4-bromo-2-[(Z)-[[2-[(4-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126003370
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
3,4-dimethoxy-N-[2-[[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 6886720
4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide
CID 172709506

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide (CID 4997386) is 2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide?
The InChIKey is OJCOCTZYGNZWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-32-21-15-13-19(14-16-21)25(30)28-24-12-5-4-11-23(24)26(31)29-27-17-20-9-6-8-18-7-2-3-10-22(18)20/h2-17H,1H3,(H,28,30)(H,29,31).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide?
2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide has a molecular weight of 423.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide is sourced from PubChem (CID 4997386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).