4-fluoro-N-(propan-2-ylideneamino)benzamide

C10H11FN2O — CID 847533

IUPAC4-fluoro-N-(propan-2-ylideneamino)benzamide
SMILESCC(C)=NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN2O/c1-7(2)12-13-10(14)8-3-5-9(11)6-4-8/h3-6H,1-2H3,(H,13,14)
InChIKeyAQOCDHMFFLCEKH-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.95
Rot. Bonds2

About 4-fluoro-N-(propan-2-ylideneamino)benzamide

4-fluoro-N-(propan-2-ylideneamino)benzamide (PubChem CID 847533) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-fluoro-N-(propan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(propan-2-ylideneamino)benzamide
PubChem CID847533
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name4-fluoro-N-(propan-2-ylideneamino)benzamide
SMILESCC(C)=NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN2O/c1-7(2)12-13-10(14)8-3-5-9(11)6-4-8/h3-6H,1-2H3,(H,13,14)
InChIKeyAQOCDHMFFLCEKH-UHFFFAOYSA-N
XLogP1.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.95
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

N-(1-aminoethylideneamino)-4-fluorobenzamide
CID 86065871
4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4131322
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide
CID 118474736
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide
CID 6089848
N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide
CID 5112847
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
N-(4-fluorophenyl)-N'-(propan-2-ylideneamino)oxamide
CID 2854967
4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide
CID 59642161

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(propan-2-ylideneamino)benzamide?
The IUPAC name of 4-fluoro-N-(propan-2-ylideneamino)benzamide (CID 847533) is 4-fluoro-N-(propan-2-ylideneamino)benzamide.
What is the SMILES notation for 4-fluoro-N-(propan-2-ylideneamino)benzamide?
The canonical SMILES for 4-fluoro-N-(propan-2-ylideneamino)benzamide is CC(C)=NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(propan-2-ylideneamino)benzamide?
The InChIKey is AQOCDHMFFLCEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-7(2)12-13-10(14)8-3-5-9(11)6-4-8/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-fluoro-N-(propan-2-ylideneamino)benzamide?
4-fluoro-N-(propan-2-ylideneamino)benzamide has a molecular weight of 194.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(propan-2-ylideneamino)benzamide is sourced from PubChem (CID 847533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).