4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide

C21H17FN2O2 — CID 679117

IUPAC4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c22-19-11-9-18(10-12-19)21(25)24-23-14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,24,25)
InChIKeyGLYJDLZIMMXLIQ-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.17
Rot. Bonds6

About 4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide

4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 679117) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID679117
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c22-19-11-9-18(10-12-19)21(25)24-23-14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,24,25)
InChIKeyGLYJDLZIMMXLIQ-UHFFFAOYSA-N
XLogP4.17
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329870
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6289615
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 9016622
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide (CID 679117) is 4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide is O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is GLYJDLZIMMXLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-19-11-9-18(10-12-19)21(25)24-23-14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,24,25).
What are the key properties of 4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide?
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 348.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 679117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).