N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide

C17H23FN2O3 — CID 126798772

IUPACN-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCOC(C)(C(=O)N1CCC(CNC(C)=O)C1)c1ccccc1F
InChIInChI=1S/C17H23FN2O3/c1-12(21)19-10-13-8-9-20(11-13)16(22)17(2,23-3)14-6-4-5-7-15(14)18/h4-7,13H,8-11H2,1-3H3,(H,19,21)
InChIKeySBKSYQRNKIZCON-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.67
Rot. Bonds5

About N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide

N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 126798772) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID126798772
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC NameN-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCOC(C)(C(=O)N1CCC(CNC(C)=O)C1)c1ccccc1F
InChIInChI=1S/C17H23FN2O3/c1-12(21)19-10-13-8-9-20(11-13)16(22)17(2,23-3)14-6-4-5-7-15(14)18/h4-7,13H,8-11H2,1-3H3,(H,19,21)
InChIKeySBKSYQRNKIZCON-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
N-cyclooctyl-2-methoxy-2-phenylacetamide
CID 2921709
(R)-1-(3-Aminomethyl-pyrrolidin-1-yl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44308912
3-Methoxy-3-phenyl-2-piperidinone
CID 137300
X 100
CID 19153
Acetamide, N-(2-dimethylaminoethyl)-2-ethoxy-N-methyl-2,2-diphenyl-, hydrochloride
CID 47075
Benzeneacetamide, alpha-ethoxy-alpha-phenyl-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3047310
N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide
CID 2897080
2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide
CID 11373377
Acetamide, N-(2-(dimethylamino)ethyl)-2,2-diphenyl-2-ethoxy-, hydrochloride
CID 29247
N-methyl-2-phenyl-2-phenylmethoxybutanamide
CID 12488716

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide (CID 126798772) is N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide is COC(C)(C(=O)N1CCC(CNC(C)=O)C1)c1ccccc1F.
What is the InChIKey of N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is SBKSYQRNKIZCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12(21)19-10-13-8-9-20(11-13)16(22)17(2,23-3)14-6-4-5-7-15(14)18/h4-7,13H,8-11H2,1-3H3,(H,19,21).
What are the key properties of N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide?
N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 322.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 126798772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).