2-fluoro-N-(1-phenylpropylideneamino)benzamide

C16H15FN2O — CID 4162373

IUPAC2-fluoro-N-(1-phenylpropylideneamino)benzamide
SMILESCCC(=NNC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C16H15FN2O/c1-2-15(12-8-4-3-5-9-12)18-19-16(20)13-10-6-7-11-14(13)17/h3-11H,2H2,1H3,(H,19,20)
InChIKeyWUJVZBMLBZKGGH-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.37
Rot. Bonds4

About 2-fluoro-N-(1-phenylpropylideneamino)benzamide

2-fluoro-N-(1-phenylpropylideneamino)benzamide (PubChem CID 4162373) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-fluoro-N-(1-phenylpropylideneamino)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-phenylpropylideneamino)benzamide
PubChem CID4162373
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-fluoro-N-(1-phenylpropylideneamino)benzamide
SMILESCCC(=NNC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C16H15FN2O/c1-2-15(12-8-4-3-5-9-12)18-19-16(20)13-10-6-7-11-14(13)17/h3-11H,2H2,1H3,(H,19,20)
InChIKeyWUJVZBMLBZKGGH-UHFFFAOYSA-N
XLogP3.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
2-fluoro-N-(heptan-4-ylideneamino)benzamide
CID 3470873
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide
CID 27876459
2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
CID 6520046
ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate
CID 174974451
2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 3635531
2-(4-fluorophenyl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 7428677
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-phenylpropylideneamino)benzamide?
The IUPAC name of 2-fluoro-N-(1-phenylpropylideneamino)benzamide (CID 4162373) is 2-fluoro-N-(1-phenylpropylideneamino)benzamide.
What is the SMILES notation for 2-fluoro-N-(1-phenylpropylideneamino)benzamide?
The canonical SMILES for 2-fluoro-N-(1-phenylpropylideneamino)benzamide is CCC(=NNC(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-(1-phenylpropylideneamino)benzamide?
The InChIKey is WUJVZBMLBZKGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-2-15(12-8-4-3-5-9-12)18-19-16(20)13-10-6-7-11-14(13)17/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-N-(1-phenylpropylideneamino)benzamide?
2-fluoro-N-(1-phenylpropylideneamino)benzamide has a molecular weight of 270.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-phenylpropylideneamino)benzamide is sourced from PubChem (CID 4162373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).