N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide

C13H16FNO3 — CID 63299007

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCC(O)C1CC1
InChIInChI=1S/C13H16FNO3/c14-10-3-1-2-4-12(10)18-8-13(17)15-7-11(16)9-5-6-9/h1-4,9,11,16H,5-8H2,(H,15,17)
InChIKeyXJYTYLOFXOXABM-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.09
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide (PubChem CID 63299007) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
PubChem CID63299007
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCC(O)C1CC1
InChIInChI=1S/C13H16FNO3/c14-10-3-1-2-4-12(10)18-8-13(17)15-7-11(16)9-5-6-9/h1-4,9,11,16H,5-8H2,(H,15,17)
InChIKeyXJYTYLOFXOXABM-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 90498777
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide
CID 63294026
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
CID 110663511
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide
CID 90498778
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-fluorophenoxy)acetamide
CID 41318277
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 95292204
2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 16895399
2-(2-fluorophenoxy)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 90597980
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide
CID 155963538
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide (CID 63299007) is N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide?
The InChIKey is XJYTYLOFXOXABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-10-3-1-2-4-12(10)18-8-13(17)15-7-11(16)9-5-6-9/h1-4,9,11,16H,5-8H2,(H,15,17).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide has a molecular weight of 253.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 63299007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).