4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide

C17H15FN2O2 — CID 9016622

IUPAC4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1cccc(/C=N\NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN2O2/c1-2-10-22-16-5-3-4-13(11-16)12-19-20-17(21)14-6-8-15(18)9-7-14/h2-9,11-12H,1,10H2,(H,20,21)/b19-12-
InChIKeyVCGGNFILBVOXPV-UNOMPAQXSA-N
MW298.32 g/mol
LogP3.15
Rot. Bonds6

About 4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide

4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 9016622) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID9016622
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1cccc(/C=N\NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN2O2/c1-2-10-22-16-5-3-4-13(11-16)12-19-20-17(21)14-6-8-15(18)9-7-14/h2-9,11-12H,1,10H2,(H,20,21)/b19-12-
InChIKeyVCGGNFILBVOXPV-UNOMPAQXSA-N
XLogP3.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
4-(benzenesulfonamido)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6040213
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6876861
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
3-methoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 126324319
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126324774
[3-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3778082
N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329870
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126033452
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 9016622) is 4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1cccc(/C=N\NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is VCGGNFILBVOXPV-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-2-10-22-16-5-3-4-13(11-16)12-19-20-17(21)14-6-8-15(18)9-7-14/h2-9,11-12H,1,10H2,(H,20,21)/b19-12-.
What are the key properties of 4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide?
4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide has a molecular weight of 298.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 9016622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).