N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide

C15H20FNO3 — CID 78932476

IUPACN-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
SMILESCCN(C(=O)COc1cc(F)ccc1[C@H](C)O)C1CC1
InChIInChI=1S/C15H20FNO3/c1-3-17(12-5-6-12)15(19)9-20-14-8-11(16)4-7-13(14)10(2)18/h4,7-8,10,12,18H,3,5-6,9H2,1-2H3/t10-/m0/s1
InChIKeySDSBVEHTMZGBCH-JTQLQIEISA-N
MW281.33 g/mol
LogP2.27
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide

N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide (PubChem CID 78932476) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
PubChem CID78932476
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC NameN-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
SMILESCCN(C(=O)COc1cc(F)ccc1[C@H](C)O)C1CC1
InChIInChI=1S/C15H20FNO3/c1-3-17(12-5-6-12)15(19)9-20-14-8-11(16)4-7-13(14)10(2)18/h4,7-8,10,12,18H,3,5-6,9H2,1-2H3/t10-/m0/s1
InChIKeySDSBVEHTMZGBCH-JTQLQIEISA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
CID 78932583
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
CID 63366000
N-cyclopentyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]acetamide
CID 63067515
N-cyclohexyl-2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 78934122
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 107700484
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
N-cyclopropyl-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 60729344
N-cyclopropyl-N-ethyl-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854538
1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63366201
N,N-diethyl-2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]acetamide
CID 78947011
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 60772880

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide (CID 78932476) is N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide is CCN(C(=O)COc1cc(F)ccc1[C@H](C)O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
The InChIKey is SDSBVEHTMZGBCH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-17(12-5-6-12)15(19)9-20-14-8-11(16)4-7-13(14)10(2)18/h4,7-8,10,12,18H,3,5-6,9H2,1-2H3/t10-/m0/s1.
What are the key properties of N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide has a molecular weight of 281.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide is sourced from PubChem (CID 78932476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).