2-(4-fluoroanilino)-3-methylbut-3-enamide

C11H13FN2O — CID 114784366

IUPAC2-(4-fluoroanilino)-3-methylbut-3-enamide
SMILESC=C(C)C(Nc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C11H13FN2O/c1-7(2)10(11(13)15)14-9-5-3-8(12)4-6-9/h3-6,10,14H,1H2,2H3,(H2,13,15)
InChIKeyYWWSTQUNRRRAOB-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.67
Rot. Bonds4

About 2-(4-fluoroanilino)-3-methylbut-3-enamide

2-(4-fluoroanilino)-3-methylbut-3-enamide (PubChem CID 114784366) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-3-methylbut-3-enamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-3-methylbut-3-enamide
PubChem CID114784366
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-(4-fluoroanilino)-3-methylbut-3-enamide
SMILESC=C(C)C(Nc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C11H13FN2O/c1-7(2)10(11(13)15)14-9-5-3-8(12)4-6-9/h3-6,10,14H,1H2,2H3,(H2,13,15)
InChIKeyYWWSTQUNRRRAOB-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.67
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

3-methyl-2-(4-methylanilino)but-3-enamide
CID 114784358
methyl (2S)-2-(4-fluoroanilino)propanoate;hydrochloride
CID 70079411
2-(4-fluoroanilino)-4,4-dimethylpentanamide
CID 55156388
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
3-(4-fluoroanilino)pentanamide
CID 76725039
2-(4-fluoroanilino)-4,4-dimethoxybutanamide
CID 66270904
2-(4-fluoroanilino)-2-(3-fluoro-4-methylphenyl)acetamide
CID 63649606
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)acetamide
CID 61005627
3-(4-fluoroanilino)-N,N-dimethylbutanamide
CID 115916764
2-(5-fluoro-2-hydroxyphenyl)-2-(4-methylanilino)acetamide
CID 107698125
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-3-methylbut-3-enamide?
The IUPAC name of 2-(4-fluoroanilino)-3-methylbut-3-enamide (CID 114784366) is 2-(4-fluoroanilino)-3-methylbut-3-enamide.
What is the SMILES notation for 2-(4-fluoroanilino)-3-methylbut-3-enamide?
The canonical SMILES for 2-(4-fluoroanilino)-3-methylbut-3-enamide is C=C(C)C(Nc1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-(4-fluoroanilino)-3-methylbut-3-enamide?
The InChIKey is YWWSTQUNRRRAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7(2)10(11(13)15)14-9-5-3-8(12)4-6-9/h3-6,10,14H,1H2,2H3,(H2,13,15).
What are the key properties of 2-(4-fluoroanilino)-3-methylbut-3-enamide?
2-(4-fluoroanilino)-3-methylbut-3-enamide has a molecular weight of 208.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-3-methylbut-3-enamide is sourced from PubChem (CID 114784366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).