2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide

C20H23FN2O3 — CID 78894098

IUPAC2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(C2CCCN2CC(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C20H23FN2O3/c1-25-18-10-9-14(12-19(18)26-2)17-8-5-11-23(17)13-20(24)22-16-7-4-3-6-15(16)21/h3-4,6-7,9-10,12,17H,5,8,11,13H2,1-2H3,(H,22,24)
InChIKeyIPCWXOGNZSXUFC-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.62
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide

2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 78894098) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID78894098
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(C2CCCN2CC(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C20H23FN2O3/c1-25-18-10-9-14(12-19(18)26-2)17-8-5-11-23(17)13-20(24)22-16-7-4-3-6-15(16)21/h3-4,6-7,9-10,12,17H,5,8,11,13H2,1-2H3,(H,22,24)
InChIKeyIPCWXOGNZSXUFC-UHFFFAOYSA-N
XLogP3.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 9292636
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41416275
2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 95858474
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 134001147
N-[2-(difluoromethoxy)phenyl]-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313371
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 55839490
N-(2-methoxy-5-methylphenyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51172175
2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2-fluorophenyl)acetamide
CID 9288667
(2S)-1-[2-(2-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910659
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-imidazol-1-ylphenyl)acetamide
CID 46980936
N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 78894098) is 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide is COc1ccc(C2CCCN2CC(=O)Nc2ccccc2F)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is IPCWXOGNZSXUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-25-18-10-9-14(12-19(18)26-2)17-8-5-11-23(17)13-20(24)22-16-7-4-3-6-15(16)21/h3-4,6-7,9-10,12,17H,5,8,11,13H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 358.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 78894098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).