[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate

C15H11FN2O5 — CID 5371283

IUPAC[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate
SMILESCOc1ccc(/C=N\OC(=O)c2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H11FN2O5/c1-22-14-7-6-10(8-13(14)18(20)21)9-17-23-15(19)11-4-2-3-5-12(11)16/h2-9H,1H3/b17-9-
InChIKeyHYLXBYPXWLSRFT-MFOYZWKCSA-N
MW318.26 g/mol
LogP2.93
Rot. Bonds5

About [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate

[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate (PubChem CID 5371283) has the molecular formula C15H11FN2O5 and a molecular weight of 318.26 g/mol. Its IUPAC name is [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate.

Molecular Properties

Compound Name[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate
PubChem CID5371283
Molecular FormulaC15H11FN2O5
Molecular Weight318.26 g/mol
Exact Mass318.07
IUPAC Name[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate
SMILESCOc1ccc(/C=N\OC(=O)c2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H11FN2O5/c1-22-14-7-6-10(8-13(14)18(20)21)9-17-23-15(19)11-4-2-3-5-12(11)16/h2-9H,1H3/b17-9-
InChIKeyHYLXBYPXWLSRFT-MFOYZWKCSA-N
XLogP2.93
TPSA91.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
1-(2-fluorophenyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-en-1-one
CID 4827526
2-fluoro-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135583258
2-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 118705656
4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 98090583
4-methoxy-3-nitrobenzaldehyde
CID 700608
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
CID 94833655
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657832
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
1-(4-methoxy-3-nitrophenyl)-N-[4-[4-[(4-methoxy-3-nitrophenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3951900

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate?
The IUPAC name of [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate (CID 5371283) is [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate.
What is the SMILES notation for [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate?
The canonical SMILES for [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate is COc1ccc(/C=N\OC(=O)c2ccccc2F)cc1[N+](=O)[O-].
What is the InChIKey of [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate?
The InChIKey is HYLXBYPXWLSRFT-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H11FN2O5/c1-22-14-7-6-10(8-13(14)18(20)21)9-17-23-15(19)11-4-2-3-5-12(11)16/h2-9H,1H3/b17-9-.
What are the key properties of [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate?
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate has a molecular weight of 318.26 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino] 2-fluorobenzoate is sourced from PubChem (CID 5371283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).