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

C29H35F2N3O3 — CID 10481477

IUPAC2-(3,4-difluorophenyl)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
SMILESCCN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1=O
InChIInChI=1S/C29H35F2N3O3/c1-2-33(28(36)27(34-16-5-9-26(34)35)21-10-11-24(30)25(31)19-21)15-6-14-32-17-12-29(13-18-32)23-8-4-3-7-22(23)20-37-29/h3-4,7-8,10-11,19,27H,2,5-6,9,12-18,20H2,1H3
InChIKeyYFPQFEDZZVHPSB-UHFFFAOYSA-N
MW511.61 g/mol
LogP4.39
Rot. Bonds8

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

2-(3,4-difluorophenyl)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide (PubChem CID 10481477) has the molecular formula C29H35F2N3O3 and a molecular weight of 511.61 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-ethyl-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-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
PubChem CID10481477
Molecular FormulaC29H35F2N3O3
Molecular Weight511.61 g/mol
Exact Mass511.26
IUPAC Name2-(3,4-difluorophenyl)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
SMILESCCN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1=O
InChIInChI=1S/C29H35F2N3O3/c1-2-33(28(36)27(34-16-5-9-26(34)35)21-10-11-24(30)25(31)19-21)15-6-14-32-17-12-29(13-18-32)23-8-4-3-7-22(23)20-37-29/h3-4,7-8,10-11,19,27H,2,5-6,9,12-18,20H2,1H3
InChIKeyYFPQFEDZZVHPSB-UHFFFAOYSA-N
XLogP4.39
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.61
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-ethyl-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-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide (CID 10481477) is 2-(3,4-difluorophenyl)-N-ethyl-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-ethyl-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-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide is CCN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1=O.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
The InChIKey is YFPQFEDZZVHPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2N3O3/c1-2-33(28(36)27(34-16-5-9-26(34)35)21-10-11-24(30)25(31)19-21)15-6-14-32-17-12-29(13-18-32)23-8-4-3-7-22(23)20-37-29/h3-4,7-8,10-11,19,27H,2,5-6,9,12-18,20H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
2-(3,4-difluorophenyl)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide has a molecular weight of 511.61 g/mol, XLogP of 4.39, 8 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-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide is sourced from PubChem (CID 10481477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).