4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide

C12H15FN2O — CID 6026016

IUPAC4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
SMILESCCC/C(C)=N\NC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-3-4-9(2)14-15-12(16)10-5-7-11(13)8-6-10/h5-8H,3-4H2,1-2H3,(H,15,16)/b14-9-
InChIKeyZFQHPUJLSARYEK-ZROIWOOFSA-N
MW222.26 g/mol
LogP2.73
Rot. Bonds4

About 4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide

4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide (PubChem CID 6026016) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
PubChem CID6026016
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
SMILESCCC/C(C)=N\NC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-3-4-9(2)14-15-12(16)10-5-7-11(13)8-6-10/h5-8H,3-4H2,1-2H3,(H,15,16)/b14-9-
InChIKeyZFQHPUJLSARYEK-ZROIWOOFSA-N
XLogP2.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.73
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'}

Analyze 4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 9070750
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
4-nitro-N-(pentan-2-ylideneamino)benzamide
CID 5106021
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
N-(1-aminoethylideneamino)-4-fluorobenzamide
CID 86065871
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
CID 19685354
3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide
CID 151685716
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713
N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide
CID 135824450
N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide
CID 54784798

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide (CID 6026016) is 4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide is CCC/C(C)=N\NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide?
The InChIKey is ZFQHPUJLSARYEK-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-3-4-9(2)14-15-12(16)10-5-7-11(13)8-6-10/h5-8H,3-4H2,1-2H3,(H,15,16)/b14-9-.
What are the key properties of 4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide?
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide has a molecular weight of 222.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide is sourced from PubChem (CID 6026016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).