2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide

C13H16FNO3 — CID 113389648

IUPAC2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C13H16FNO3/c1-3-6-15-13(17)8-18-12-5-4-10(9(2)16)7-11(12)14/h3-5,7,9,16H,1,6,8H2,2H3,(H,15,17)/t9-/m1/s1
InChIKeySQATWGIFUJHVRD-SECBINFHSA-N
MW253.27 g/mol
LogP1.56
Rot. Bonds6

About 2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide

2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide (PubChem CID 113389648) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide
PubChem CID113389648
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C13H16FNO3/c1-3-6-15-13(17)8-18-12-5-4-10(9(2)16)7-11(12)14/h3-5,7,9,16H,1,6,8H2,2H3,(H,15,17)/t9-/m1/s1
InChIKeySQATWGIFUJHVRD-SECBINFHSA-N
XLogP1.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.56
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-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 63364462
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 107686453
2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide
CID 107686235
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide
CID 107700877
2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 167446728
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 55188483
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
3-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 113389676
2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide
CID 60882862
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide
CID 107719071
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
CID 43504554
1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol
CID 113389597

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide (CID 113389648) is 2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc([C@@H](C)O)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide?
The InChIKey is SQATWGIFUJHVRD-SECBINFHSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-3-6-15-13(17)8-18-12-5-4-10(9(2)16)7-11(12)14/h3-5,7,9,16H,1,6,8H2,2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide?
2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide has a molecular weight of 253.27 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 113389648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).