2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide

C16H14N4O6 — CID 4552402

IUPAC2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NN=C(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14N4O6/c1-10(11-4-3-5-12(8-11)19(22)23)17-18-16(21)14-9-13(20(24)25)6-7-15(14)26-2/h3-9H,1-2H3,(H,18,21)
InChIKeyQDRVOMKLWPQNAT-UHFFFAOYSA-N
MW358.31 g/mol
LogP2.67
Rot. Bonds6

About 2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide

2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide (PubChem CID 4552402) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
PubChem CID4552402
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC Name2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NN=C(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14N4O6/c1-10(11-4-3-5-12(8-11)19(22)23)17-18-16(21)14-9-13(20(24)25)6-7-15(14)26-2/h3-9H,1-2H3,(H,18,21)
InChIKeyQDRVOMKLWPQNAT-UHFFFAOYSA-N
XLogP2.67
TPSA136.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-nitrobenzamide
CID 135615299
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 5339753
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087
4-bromo-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 7350323
N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 9014955
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of 2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide (CID 4552402) is 2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide is COc1ccc([N+](=O)[O-])cc1C(=O)NN=C(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is QDRVOMKLWPQNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6/c1-10(11-4-3-5-12(8-11)19(22)23)17-18-16(21)14-9-13(20(24)25)6-7-15(14)26-2/h3-9H,1-2H3,(H,18,21).
What are the key properties of 2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide?
2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide has a molecular weight of 358.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4552402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).