2-(4-fluoroanilino)-2-methylhex-5-enamide

C13H17FN2O — CID 104655903

IUPAC2-(4-fluoroanilino)-2-methylhex-5-enamide
SMILESC=CCCC(C)(Nc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C13H17FN2O/c1-3-4-9-13(2,12(15)17)16-11-7-5-10(14)6-8-11/h3,5-8,16H,1,4,9H2,2H3,(H2,15,17)
InChIKeyJNJFLIIOMCUAFS-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.45
Rot. Bonds6

About 2-(4-fluoroanilino)-2-methylhex-5-enamide

2-(4-fluoroanilino)-2-methylhex-5-enamide (PubChem CID 104655903) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-methylhex-5-enamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-methylhex-5-enamide
PubChem CID104655903
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(4-fluoroanilino)-2-methylhex-5-enamide
SMILESC=CCCC(C)(Nc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C13H17FN2O/c1-3-4-9-13(2,12(15)17)16-11-7-5-10(14)6-8-11/h3,5-8,16H,1,4,9H2,2H3,(H2,15,17)
InChIKeyJNJFLIIOMCUAFS-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-2-(4-methylanilino)hex-5-enoate
CID 113437919
2-methyl-2-(methylamino)hex-5-enamide
CID 104655918
2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide
CID 114831914
2-(4-methoxyanilino)-2-methylpentanamide
CID 54889125
2-(4-fluoroanilino)-2-(4-fluorophenyl)butanamide
CID 60996994
4-fluoro-N-(2-methylbut-3-en-2-yl)aniline
CID 130015920
methyl 2-amino-2-(4-fluorophenyl)non-8-enoate
CID 66915424
prop-2-enyl 2-(4-fluoroanilino)acetate
CID 145294426
2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide
CID 54892277
6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide
CID 116535507
ethyl (2S)-2-(4-methoxyanilino)-2-methylpent-4-enoate
CID 24867811
2-(3-fluoro-5-methylanilino)-2-methylnonanamide
CID 79044705

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-methylhex-5-enamide?
The IUPAC name of 2-(4-fluoroanilino)-2-methylhex-5-enamide (CID 104655903) is 2-(4-fluoroanilino)-2-methylhex-5-enamide.
What is the SMILES notation for 2-(4-fluoroanilino)-2-methylhex-5-enamide?
The canonical SMILES for 2-(4-fluoroanilino)-2-methylhex-5-enamide is C=CCCC(C)(Nc1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-(4-fluoroanilino)-2-methylhex-5-enamide?
The InChIKey is JNJFLIIOMCUAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-3-4-9-13(2,12(15)17)16-11-7-5-10(14)6-8-11/h3,5-8,16H,1,4,9H2,2H3,(H2,15,17).
What are the key properties of 2-(4-fluoroanilino)-2-methylhex-5-enamide?
2-(4-fluoroanilino)-2-methylhex-5-enamide has a molecular weight of 236.29 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-methylhex-5-enamide is sourced from PubChem (CID 104655903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).