N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide

C21H16N6O5 — CID 4033932

IUPACN-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cccc(NN=Cc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C21H16N6O5/c28-21(25-23-14-16-5-2-9-20(11-16)27(31)32)17-6-3-7-18(12-17)24-22-13-15-4-1-8-19(10-15)26(29)30/h1-14,24H,(H,25,28)
InChIKeyIDEYCSFIUJICLW-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.71
Rot. Bonds8

About N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide

N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide (PubChem CID 4033932) has the molecular formula C21H16N6O5 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
PubChem CID4033932
Molecular FormulaC21H16N6O5
Molecular Weight432.40 g/mol
Exact Mass432.12
IUPAC NameN-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cccc(NN=Cc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C21H16N6O5/c28-21(25-23-14-16-5-2-9-20(11-16)27(31)32)17-6-3-7-18(12-17)24-22-13-15-4-1-8-19(10-15)26(29)30/h1-14,24H,(H,25,28)
InChIKeyIDEYCSFIUJICLW-UHFFFAOYSA-N
XLogP3.71
TPSA152.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135504453
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 9077514
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
N-[(Z)-(3-nitrophenyl)methylideneamino]-1,4-dioxo-2,3-dihydrophthalazine-6-carboxamide
CID 94836291
2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol
CID 21204190
N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-3-nitrobenzamide
CID 7635577
N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136712211

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide?
The IUPAC name of N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide (CID 4033932) is N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide.
What is the SMILES notation for N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide?
The canonical SMILES for N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide is O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cccc(NN=Cc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide?
The InChIKey is IDEYCSFIUJICLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O5/c28-21(25-23-14-16-5-2-9-20(11-16)27(31)32)17-6-3-7-18(12-17)24-22-13-15-4-1-8-19(10-15)26(29)30/h1-14,24H,(H,25,28).
What are the key properties of N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide?
N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide has a molecular weight of 432.40 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide is sourced from PubChem (CID 4033932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).