2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

C19H14FN3O — CID 4536302

IUPAC2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESO=C(NN=C(c1ccccc1)c1ccccn1)c1ccccc1F
InChIInChI=1S/C19H14FN3O/c20-16-11-5-4-10-15(16)19(24)23-22-18(14-8-2-1-3-9-14)17-12-6-7-13-21-17/h1-13H,(H,23,24)
InChIKeyHTTGUFYDLKKZHH-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.40
Rot. Bonds4

About 2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide

2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide (PubChem CID 4536302) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
PubChem CID4536302
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESO=C(NN=C(c1ccccc1)c1ccccn1)c1ccccc1F
InChIInChI=1S/C19H14FN3O/c20-16-11-5-4-10-15(16)19(24)23-22-18(14-8-2-1-3-9-14)17-12-6-7-13-21-17/h1-13H,(H,23,24)
InChIKeyHTTGUFYDLKKZHH-UHFFFAOYSA-N
XLogP3.40
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.40
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

2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
2-hydroxy-2-phenyl-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 6305283
2-hydroxy-2-phenyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 5220339
4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912
3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 134463822
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The IUPAC name of 2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide (CID 4536302) is 2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide.
What is the SMILES notation for 2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The canonical SMILES for 2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide is O=C(NN=C(c1ccccc1)c1ccccn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The InChIKey is HTTGUFYDLKKZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-16-11-5-4-10-15(16)19(24)23-22-18(14-8-2-1-3-9-14)17-12-6-7-13-21-17/h1-13H,(H,23,24).
What are the key properties of 2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide has a molecular weight of 319.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide is sourced from PubChem (CID 4536302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).