N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide

C15H12N4O6 — CID 3090224

IUPACN-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
SMILESCOc1ccccc1C=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O6/c1-25-14-5-3-2-4-10(14)9-16-17-15(20)11-6-12(18(21)22)8-13(7-11)19(23)24/h2-9H,1H3,(H,17,20)
InChIKeyPUUKEEKTKMKJHZ-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.28
Rot. Bonds6

About N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide

N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide (PubChem CID 3090224) has the molecular formula C15H12N4O6 and a molecular weight of 344.28 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
PubChem CID3090224
Molecular FormulaC15H12N4O6
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC NameN-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
SMILESCOc1ccccc1C=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O6/c1-25-14-5-3-2-4-10(14)9-16-17-15(20)11-6-12(18(21)22)8-13(7-11)19(23)24/h2-9H,1H3,(H,17,20)
InChIKeyPUUKEEKTKMKJHZ-UHFFFAOYSA-N
XLogP2.28
TPSA136.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.28
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

N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 5373886
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3949968
3,4,5-trimethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 6875972
3,4,5-trimethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5435097
3-nitro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 6305635
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 136712197
[2-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 1100671
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 3623304
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide?
The IUPAC name of N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide (CID 3090224) is N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide is COc1ccccc1C=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide?
The InChIKey is PUUKEEKTKMKJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O6/c1-25-14-5-3-2-4-10(14)9-16-17-15(20)11-6-12(18(21)22)8-13(7-11)19(23)24/h2-9H,1H3,(H,17,20).
What are the key properties of N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide?
N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide has a molecular weight of 344.28 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide is sourced from PubChem (CID 3090224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).