2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide

C28H33F2N3O3 — CID 10391177

IUPAC2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
SMILESCN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1=O
InChIInChI=1S/C28H33F2N3O3/c1-31(27(35)26(33-15-4-8-25(33)34)20-9-10-23(29)24(30)18-20)13-5-14-32-16-11-28(12-17-32)22-7-3-2-6-21(22)19-36-28/h2-3,6-7,9-10,18,26H,4-5,8,11-17,19H2,1H3
InChIKeyXFNDMVROQNGSOY-UHFFFAOYSA-N
MW497.59 g/mol
LogP4.00
Rot. Bonds7

About 2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide

2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide (PubChem CID 10391177) has the molecular formula C28H33F2N3O3 and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
PubChem CID10391177
Molecular FormulaC28H33F2N3O3
Molecular Weight497.59 g/mol
Exact Mass497.25
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
SMILESCN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1=O
InChIInChI=1S/C28H33F2N3O3/c1-31(27(35)26(33-15-4-8-25(33)34)20-9-10-23(29)24(30)18-20)13-5-14-32-16-11-28(12-17-32)22-7-3-2-6-21(22)19-36-28/h2-3,6-7,9-10,18,26H,4-5,8,11-17,19H2,1H3
InChIKeyXFNDMVROQNGSOY-UHFFFAOYSA-N
XLogP4.00
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide (CID 10391177) is 2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide is CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1=O.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
The InChIKey is XFNDMVROQNGSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N3O3/c1-31(27(35)26(33-15-4-8-25(33)34)20-9-10-23(29)24(30)18-20)13-5-14-32-16-11-28(12-17-32)22-7-3-2-6-21(22)19-36-28/h2-3,6-7,9-10,18,26H,4-5,8,11-17,19H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide has a molecular weight of 497.59 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide is sourced from PubChem (CID 10391177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).