2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide

C15H12FN3O5 — CID 136713263

IUPAC2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide
SMILESCOc1c(O)ccc(/C=N\NC(=O)c2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C15H12FN3O5/c1-24-14-12(20)7-6-9(13(14)19(22)23)8-17-18-15(21)10-4-2-3-5-11(10)16/h2-8,20H,1H3,(H,18,21)/b17-8-
InChIKeyGEEZSEKLWSHLHV-IUXPMGMMSA-N
MW333.28 g/mol
LogP2.21
Rot. Bonds5

About 2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide

2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide (PubChem CID 136713263) has the molecular formula C15H12FN3O5 and a molecular weight of 333.28 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide
PubChem CID136713263
Molecular FormulaC15H12FN3O5
Molecular Weight333.28 g/mol
Exact Mass333.08
IUPAC Name2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide
SMILESCOc1c(O)ccc(/C=N\NC(=O)c2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C15H12FN3O5/c1-24-14-12(20)7-6-9(13(14)19(22)23)8-17-18-15(21)10-4-2-3-5-11(10)16/h2-8,20H,1H3,(H,18,21)/b17-8-
InChIKeyGEEZSEKLWSHLHV-IUXPMGMMSA-N
XLogP2.21
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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

2-bromo-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide
CID 5221526
methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate
CID 135642261
2-chloro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 136714380
2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
CID 3426419
4-amino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 135909224
2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide
CID 136713274
N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 135644192
2-fluoro-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135583258
N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590228
5-tert-butyl-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135952608
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135589413

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide (CID 136713263) is 2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide is COc1c(O)ccc(/C=N\NC(=O)c2ccccc2F)c1[N+](=O)[O-].
What is the InChIKey of 2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide?
The InChIKey is GEEZSEKLWSHLHV-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H12FN3O5/c1-24-14-12(20)7-6-9(13(14)19(22)23)8-17-18-15(21)10-4-2-3-5-11(10)16/h2-8,20H,1H3,(H,18,21)/b17-8-.
What are the key properties of 2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide?
2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide has a molecular weight of 333.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 136713263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).