N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide

C29H20N4O4 — CID 126005035

IUPACN-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C29H20N4O4/c34-28(19-13-15-22(16-14-19)33(36)37)31-27-12-6-5-11-25(27)29(35)32-30-18-26-23-9-3-1-7-20(23)17-21-8-2-4-10-24(21)26/h1-18H,(H,31,34)(H,32,35)/b30-18-
InChIKeyQINPOUPVZIBLFG-YKQZZPSBSA-N
MW488.50 g/mol
LogP5.92
Rot. Bonds6

About N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide

N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide (PubChem CID 126005035) has the molecular formula C29H20N4O4 and a molecular weight of 488.50 g/mol. Its IUPAC name is N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
PubChem CID126005035
Molecular FormulaC29H20N4O4
Molecular Weight488.50 g/mol
Exact Mass488.15
IUPAC NameN-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C29H20N4O4/c34-28(19-13-15-22(16-14-19)33(36)37)31-27-12-6-5-11-25(27)29(35)32-30-18-26-23-9-3-1-7-20(23)17-21-8-2-4-10-24(21)26/h1-18H,(H,31,34)(H,32,35)/b30-18-
InChIKeyQINPOUPVZIBLFG-YKQZZPSBSA-N
XLogP5.92
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]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

N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-bromobenzoyl)amino]benzamide
CID 126002059
N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
CID 126004226
2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 46495533
N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
CID 5338217
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136897219
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[(4-nitrobenzoyl)amino]benzamide
CID 135567648
[4-bromo-2-[(Z)-[[2-[(4-nitrobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 126002403
[4-bromo-2-[(Z)-[[2-[(4-nitrobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 126007684
N-(anthracen-9-ylmethylideneamino)-4-chloro-3-nitrobenzamide
CID 3406553
[4-[(Z)-[(2-benzamidobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-nitrobenzoate
CID 126001905
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 135715855

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide (CID 126005035) is N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C\c1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide?
The InChIKey is QINPOUPVZIBLFG-YKQZZPSBSA-N. The full InChI is InChI=1S/C29H20N4O4/c34-28(19-13-15-22(16-14-19)33(36)37)31-27-12-6-5-11-25(27)29(35)32-30-18-26-23-9-3-1-7-20(23)17-21-8-2-4-10-24(21)26/h1-18H,(H,31,34)(H,32,35)/b30-18-.
What are the key properties of N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide?
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide has a molecular weight of 488.50 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 126005035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).