N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide

C16H19FN2O3 — CID 154793906

IUPACN-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCC(Oc2ccccc2F)C1
InChIInChI=1S/C16H19FN2O3/c1-3-15(20)18(2)11-16(21)19-9-8-12(10-19)22-14-7-5-4-6-13(14)17/h3-7,12H,1,8-11H2,2H3
InChIKeyTZFRQVNFPNXIGQ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.45
Rot. Bonds5

About N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide

N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 154793906) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID154793906
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC NameN-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCC(Oc2ccccc2F)C1
InChIInChI=1S/C16H19FN2O3/c1-3-15(20)18(2)11-16(21)19-9-8-12(10-19)22-14-7-5-4-6-13(14)17/h3-7,12H,1,8-11H2,2H3
InChIKeyTZFRQVNFPNXIGQ-UHFFFAOYSA-N
XLogP1.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
CID 166406542
N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
CID 166410798
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
2-(2-fluorophenoxy)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637391
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide
CID 125448685
2-(dimethylamino)-1-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95844083
1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 97187034
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90616711
4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide
CID 119061623
1-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 100636242
1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 46957140
[(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 156785746

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide (CID 154793906) is N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)N1CCC(Oc2ccccc2F)C1.
What is the InChIKey of N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is TZFRQVNFPNXIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-3-15(20)18(2)11-16(21)19-9-8-12(10-19)22-14-7-5-4-6-13(14)17/h3-7,12H,1,8-11H2,2H3.
What are the key properties of N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 306.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 154793906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).