3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide

C20H16FN3O2 — CID 5103936

IUPAC3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(OCc2ccccn2)cc1)c1cccc(F)c1
InChIInChI=1S/C20H16FN3O2/c21-17-5-3-4-16(12-17)20(25)24-23-13-15-7-9-19(10-8-15)26-14-18-6-1-2-11-22-18/h1-13H,14H2,(H,24,25)
InChIKeyUFSRNXOJAWNXKD-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.56
Rot. Bonds6

About 3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide

3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide (PubChem CID 5103936) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide
PubChem CID5103936
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(OCc2ccccn2)cc1)c1cccc(F)c1
InChIInChI=1S/C20H16FN3O2/c21-17-5-3-4-16(12-17)20(25)24-23-13-15-7-9-19(10-8-15)26-14-18-6-1-2-11-22-18/h1-13H,14H2,(H,24,25)
InChIKeyUFSRNXOJAWNXKD-UHFFFAOYSA-N
XLogP3.56
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-fluorobenzamide
CID 6089080
3-fluoro-N-[(4-heptoxyphenyl)methylideneamino]benzamide
CID 3886255
[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
CID 1369263
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5391553
3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110512199
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-fluorobenzamide
CID 6895131
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135615883
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-pyrrol-1-ylbenzamide
CID 5081535
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 5391556
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline
CID 169383822

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide (CID 5103936) is 3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide is O=C(NN=Cc1ccc(OCc2ccccn2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is UFSRNXOJAWNXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-17-5-3-4-16(12-17)20(25)24-23-13-15-7-9-19(10-8-15)26-14-18-6-1-2-11-22-18/h1-13H,14H2,(H,24,25).
What are the key properties of 3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide?
3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 349.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 5103936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).