N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide

C21H14N6O8 — CID 126004226

IUPACN-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H14N6O8/c28-20(13-5-8-15(9-6-13)25(30)31)23-18-4-2-1-3-17(18)21(29)24-22-12-14-7-10-16(26(32)33)11-19(14)27(34)35/h1-12H,(H,23,28)(H,24,29)/b22-12-
InChIKeyNNEBBCMTAGTSHC-UUYOSTAYSA-N
MW478.38 g/mol
LogP3.43
Rot. Bonds8

About N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide

N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide (PubChem CID 126004226) has the molecular formula C21H14N6O8 and a molecular weight of 478.38 g/mol. Its IUPAC name is N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
PubChem CID126004226
Molecular FormulaC21H14N6O8
Molecular Weight478.38 g/mol
Exact Mass478.09
IUPAC NameN-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H14N6O8/c28-20(13-5-8-15(9-6-13)25(30)31)23-18-4-2-1-3-17(18)21(29)24-22-12-14-7-10-16(26(32)33)11-19(14)27(34)35/h1-12H,(H,23,28)(H,24,29)/b22-12-
InChIKeyNNEBBCMTAGTSHC-UUYOSTAYSA-N
XLogP3.43
TPSA199.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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'}

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Related Compounds

N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
CID 126005035
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 135715855
2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 46495533
[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
[4-bromo-2-[(Z)-[[2-[(4-nitrobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126003627
[4-[(Z)-[(2-benzamidobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-nitrobenzoate
CID 126001905
2-hydroxy-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 137026862
2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 94849409
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 137173396
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 3623304

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide (CID 126004226) is N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide?
The InChIKey is NNEBBCMTAGTSHC-UUYOSTAYSA-N. The full InChI is InChI=1S/C21H14N6O8/c28-20(13-5-8-15(9-6-13)25(30)31)23-18-4-2-1-3-17(18)21(29)24-22-12-14-7-10-16(26(32)33)11-19(14)27(34)35/h1-12H,(H,23,28)(H,24,29)/b22-12-.
What are the key properties of N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide?
N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide has a molecular weight of 478.38 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 126004226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).