N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide

C15H12N4O6 — CID 2245175

IUPACN-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O6/c1-25-14-7-2-10(8-13(14)19(23)24)9-16-17-15(20)11-3-5-12(6-4-11)18(21)22/h2-9H,1H3,(H,17,20)
InChIKeyPCBQOEZIEBAWPR-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.28
Rot. Bonds6

About N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide

N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 2245175) has the molecular formula C15H12N4O6 and a molecular weight of 344.28 g/mol. Its IUPAC name is N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
PubChem CID2245175
Molecular FormulaC15H12N4O6
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC NameN-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O6/c1-25-14-7-2-10(8-13(14)19(23)24)9-16-17-15(20)11-3-5-12(6-4-11)18(21)22/h2-9H,1H3,(H,17,20)
InChIKeyPCBQOEZIEBAWPR-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

4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 98090583
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 40963712
N-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 110506679
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 3623304
3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 41290513
3,4-dimethoxy-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9232133
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 71537756
5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3359702
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
CID 94833655

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide (CID 2245175) is N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide is COc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is PCBQOEZIEBAWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O6/c1-25-14-7-2-10(8-13(14)19(23)24)9-16-17-15(20)11-3-5-12(6-4-11)18(21)22/h2-9H,1H3,(H,17,20).
What are the key properties of N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide?
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide 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-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 2245175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).