4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide

C12H15FN2O — CID 4131322

IUPAC4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C12H15FN2O/c1-8(2)9(3)14-15-12(16)10-4-6-11(13)7-5-10/h4-8H,1-3H3,(H,15,16)
InChIKeyPNWCVCKNCQLZSY-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.59
Rot. Bonds3

About 4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide

4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide (PubChem CID 4131322) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide
PubChem CID4131322
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C12H15FN2O/c1-8(2)9(3)14-15-12(16)10-4-6-11(13)7-5-10/h4-8H,1-3H3,(H,15,16)
InChIKeyPNWCVCKNCQLZSY-UHFFFAOYSA-N
XLogP2.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.59
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-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
1-N,4-N-bis[(E)-3-sulfanylbutan-2-ylideneamino]benzene-1,4-dicarboxamide
CID 170442826
N-(1-aminoethylideneamino)-4-fluorobenzamide
CID 86065871
4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4315276
N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide
CID 5112847
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide?
The IUPAC name of 4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide (CID 4131322) is 4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide?
The canonical SMILES for 4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide is CC(=NNC(=O)c1ccc(F)cc1)C(C)C.
What is the InChIKey of 4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide?
The InChIKey is PNWCVCKNCQLZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8(2)9(3)14-15-12(16)10-4-6-11(13)7-5-10/h4-8H,1-3H3,(H,15,16).
What are the key properties of 4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide?
4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide has a molecular weight of 222.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide is sourced from PubChem (CID 4131322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).