2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide

C13H17FN2O2 — CID 107686453

IUPAC2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(CNC)cc1F
InChIInChI=1S/C13H17FN2O2/c1-3-6-16-13(17)9-18-12-5-4-10(8-15-2)7-11(12)14/h3-5,7,15H,1,6,8-9H2,2H3,(H,16,17)
InChIKeyOVXGBPZGKDBOAF-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.23
Rot. Bonds7

About 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide

2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide (PubChem CID 107686453) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
PubChem CID107686453
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(CNC)cc1F
InChIInChI=1S/C13H17FN2O2/c1-3-6-16-13(17)9-18-12-5-4-10(8-15-2)7-11(12)14/h3-5,7,15H,1,6,8-9H2,2H3,(H,16,17)
InChIKeyOVXGBPZGKDBOAF-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.23
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-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide
CID 107686235
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 107686457
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749
2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide
CID 113389648
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60881072
N-cyclohexyl-2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 107686419
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 60882265
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 107687871
2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 107687125
N-(cyanomethyl)-2-[2-fluoro-4-(propylaminomethyl)phenoxy]acetamide
CID 107687312
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
CID 107687590

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide (CID 107686453) is 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(CNC)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide?
The InChIKey is OVXGBPZGKDBOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-3-6-16-13(17)9-18-12-5-4-10(8-15-2)7-11(12)14/h3-5,7,15H,1,6,8-9H2,2H3,(H,16,17).
What are the key properties of 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide?
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide has a molecular weight of 252.29 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 107686453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).