2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide

C15H21FN2O2 — CID 107716763

IUPAC2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-5-8-18-15(19)11(3)20-12-6-7-13(10(2)17-4)14(16)9-12/h5-7,9-11,17H,1,8H2,2-4H3,(H,18,19)
InChIKeyUDTBVVUGTMPBJH-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.18
Rot. Bonds7

About 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide

2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide (PubChem CID 107716763) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide
PubChem CID107716763
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-5-8-18-15(19)11(3)20-12-6-7-13(10(2)17-4)14(16)9-12/h5-7,9-11,17H,1,8H2,2-4H3,(H,18,19)
InChIKeyUDTBVVUGTMPBJH-UHFFFAOYSA-N
XLogP2.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
2-(4-iodophenoxy)-N-prop-2-enylpropanamide
CID 60675232
2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide
CID 60889157
2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 54931120
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 107716497
2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide
CID 64853364
(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide
CID 93455625
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-prop-2-enylpropanamide
CID 79794355
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
CID 107891171
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 43267929

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide (CID 107716763) is 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1ccc(C(C)NC)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide?
The InChIKey is UDTBVVUGTMPBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-5-8-18-15(19)11(3)20-12-6-7-13(10(2)17-4)14(16)9-12/h5-7,9-11,17H,1,8H2,2-4H3,(H,18,19).
What are the key properties of 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide?
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide has a molecular weight of 280.34 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 107716763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).