3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide

C14H12FN3O — CID 4180611

IUPAC3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C14H12FN3O/c1-10(13-7-2-3-8-16-13)17-18-14(19)11-5-4-6-12(15)9-11/h2-9H,1H3,(H,18,19)
InChIKeyZSZLEMRWGJFNOD-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.37
Rot. Bonds3

About 3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide

3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide (PubChem CID 4180611) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
PubChem CID4180611
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C14H12FN3O/c1-10(13-7-2-3-8-16-13)17-18-14(19)11-5-4-6-12(15)9-11/h2-9H,1H3,(H,18,19)
InChIKeyZSZLEMRWGJFNOD-UHFFFAOYSA-N
XLogP2.37
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.37
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

3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872063
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
CID 4181605
3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 40532157
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 40510549
(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid
CID 102524209
3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 6236397
2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 6089555
4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9215537
3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 29144925

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide?
The IUPAC name of 3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide (CID 4180611) is 3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide.
What is the SMILES notation for 3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide?
The canonical SMILES for 3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide is CC(=NNC(=O)c1cccc(F)c1)c1ccccn1.
What is the InChIKey of 3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide?
The InChIKey is ZSZLEMRWGJFNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-10(13-7-2-3-8-16-13)17-18-14(19)11-5-4-6-12(15)9-11/h2-9H,1H3,(H,18,19).
What are the key properties of 3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide?
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide has a molecular weight of 257.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide is sourced from PubChem (CID 4180611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).