4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide

C15H12FN3O4 — CID 98090583

IUPAC4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12FN3O4/c1-23-14-7-2-10(8-13(14)19(21)22)9-17-18-15(20)11-3-5-12(16)6-4-11/h2-9H,1H3,(H,18,20)/b17-9+
InChIKeyBMGQICQXSXUJAE-RQZCQDPDSA-N
MW317.28 g/mol
LogP2.51
Rot. Bonds5

About 4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide

4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 98090583) has the molecular formula C15H12FN3O4 and a molecular weight of 317.28 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
PubChem CID98090583
Molecular FormulaC15H12FN3O4
Molecular Weight317.28 g/mol
Exact Mass317.08
IUPAC Name4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12FN3O4/c1-23-14-7-2-10(8-13(14)19(21)22)9-17-18-15(20)11-3-5-12(16)6-4-11/h2-9H,1H3,(H,18,20)/b17-9+
InChIKeyBMGQICQXSXUJAE-RQZCQDPDSA-N
XLogP2.51
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
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
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809500
5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3359702
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
CID 94833655
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
4-chloro-N-[2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6062749
[4-[(Z)-(benzoylhydrazinylidene)methyl]-2-nitrophenyl] 4-methoxybenzoate
CID 6261751

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide (CID 98090583) is 4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is BMGQICQXSXUJAE-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12FN3O4/c1-23-14-7-2-10(8-13(14)19(21)22)9-17-18-15(20)11-3-5-12(16)6-4-11/h2-9H,1H3,(H,18,20)/b17-9+.
What are the key properties of 4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide?
4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 317.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 98090583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).