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

C28H35F2N3O2 — CID 44573964

IUPAC2-(3,4-difluorophenyl)-N-methyl-2-pyrrolidin-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
InChIInChI=1S/C28H35F2N3O2/c1-31(27(34)26(33-15-4-5-16-33)21-9-10-24(29)25(30)19-21)13-6-14-32-17-11-28(12-18-32)23-8-3-2-7-22(23)20-35-28/h2-3,7-10,19,26H,4-6,11-18,20H2,1H3
InChIKeyQWGGGPZPGZEDSN-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.47
Rot. Bonds7

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

2-(3,4-difluorophenyl)-N-methyl-2-pyrrolidin-1-yl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide (PubChem CID 44573964) has the molecular formula C28H35F2N3O2 and a molecular weight of 483.60 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-2-pyrrolidin-1-yl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-2-pyrrolidin-1-yl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
PubChem CID44573964
Molecular FormulaC28H35F2N3O2
Molecular Weight483.60 g/mol
Exact Mass483.27
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-2-pyrrolidin-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
InChIInChI=1S/C28H35F2N3O2/c1-31(27(34)26(33-15-4-5-16-33)21-9-10-24(29)25(30)19-21)13-6-14-32-17-11-28(12-18-32)23-8-3-2-7-22(23)20-35-28/h2-3,7-10,19,26H,4-6,11-18,20H2,1H3
InChIKeyQWGGGPZPGZEDSN-UHFFFAOYSA-N
XLogP4.47
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.47
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-pyrrolidin-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-pyrrolidin-1-yl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide (CID 44573964) is 2-(3,4-difluorophenyl)-N-methyl-2-pyrrolidin-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-pyrrolidin-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-pyrrolidin-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.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-2-pyrrolidin-1-yl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
The InChIKey is QWGGGPZPGZEDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F2N3O2/c1-31(27(34)26(33-15-4-5-16-33)21-9-10-24(29)25(30)19-21)13-6-14-32-17-11-28(12-18-32)23-8-3-2-7-22(23)20-35-28/h2-3,7-10,19,26H,4-6,11-18,20H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-2-pyrrolidin-1-yl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
2-(3,4-difluorophenyl)-N-methyl-2-pyrrolidin-1-yl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide has a molecular weight of 483.60 g/mol, XLogP of 4.47, 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-pyrrolidin-1-yl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide is sourced from PubChem (CID 44573964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).