2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide

C14H19FN2O2 — CID 84584622

IUPAC2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide
SMILESC=CCCNc1ccc(OCC(=O)N(C)C)cc1F
InChIInChI=1S/C14H19FN2O2/c1-4-5-8-16-13-7-6-11(9-12(13)15)19-10-14(18)17(2)3/h4,6-7,9,16H,1,5,8,10H2,2-3H3
InChIKeyGZCIWKZCOGIBJV-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.28
Rot. Bonds7

About 2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide

2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide (PubChem CID 84584622) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide
PubChem CID84584622
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide
SMILESC=CCCNc1ccc(OCC(=O)N(C)C)cc1F
InChIInChI=1S/C14H19FN2O2/c1-4-5-8-16-13-7-6-11(9-12(13)15)19-10-14(18)17(2)3/h4,6-7,9,16H,1,5,8,10H2,2-3H3
InChIKeyGZCIWKZCOGIBJV-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
2-[4-[(6-chloro-3-pyridinyl)methylamino]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 75376703
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 107719713
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
CID 60961729
2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 107171511
2-[3-[[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 109498838
N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide
CID 113465944
tert-butyl N-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]carbamate
CID 54483858
N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide
CID 47064189
4-but-3-enoxy-2-fluorobenzoic acid
CID 107675377

Frequently Asked Questions

What is the IUPAC name of 2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide (CID 84584622) is 2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide is C=CCCNc1ccc(OCC(=O)N(C)C)cc1F.
What is the InChIKey of 2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide?
The InChIKey is GZCIWKZCOGIBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-4-5-8-16-13-7-6-11(9-12(13)15)19-10-14(18)17(2)3/h4,6-7,9,16H,1,5,8,10H2,2-3H3.
What are the key properties of 2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide?
2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide has a molecular weight of 266.32 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 84584622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).