4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide

C16H15FN2O — CID 847534

IUPAC4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
SMILESCC(Cc1ccccc1)=NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c1-12(11-13-5-3-2-4-6-13)18-19-16(20)14-7-9-15(17)10-8-14/h2-10H,11H2,1H3,(H,19,20)
InChIKeyDTQXSELGWLEHED-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.17
Rot. Bonds4

About 4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide

4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide (PubChem CID 847534) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
PubChem CID847534
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
SMILESCC(Cc1ccccc1)=NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c1-12(11-13-5-3-2-4-6-13)18-19-16(20)14-7-9-15(17)10-8-14/h2-10H,11H2,1H3,(H,19,20)
InChIKeyDTQXSELGWLEHED-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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

4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
CID 91385749
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 4307399
N-(1,3-diphenylpropan-2-ylideneamino)benzamide
CID 5109505
4-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4131322

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide?
The IUPAC name of 4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide (CID 847534) is 4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide?
The canonical SMILES for 4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide is CC(Cc1ccccc1)=NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide?
The InChIKey is DTQXSELGWLEHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-12(11-13-5-3-2-4-6-13)18-19-16(20)14-7-9-15(17)10-8-14/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide?
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide has a molecular weight of 270.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide is sourced from PubChem (CID 847534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).