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

C30H32F2N2O2 — CID 10413283

IUPAC2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
SMILESCN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C30H32F2N2O2/c1-33(29(35)28(22-8-3-2-4-9-22)23-12-13-26(31)27(32)20-23)16-7-17-34-18-14-30(15-19-34)25-11-6-5-10-24(25)21-36-30/h2-6,8-13,20,28H,7,14-19,21H2,1H3
InChIKeyIOVSXXYNGKBAID-UHFFFAOYSA-N
MW490.59 g/mol
LogP5.47
Rot. Bonds7

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

2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide (PubChem CID 10413283) has the molecular formula C30H32F2N2O2 and a molecular weight of 490.59 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
PubChem CID10413283
Molecular FormulaC30H32F2N2O2
Molecular Weight490.59 g/mol
Exact Mass490.24
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
SMILESCN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C30H32F2N2O2/c1-33(29(35)28(22-8-3-2-4-9-22)23-12-13-26(31)27(32)20-23)16-7-17-34-18-14-30(15-19-34)25-11-6-5-10-24(25)21-36-30/h2-6,8-13,20,28H,7,14-19,21H2,1H3
InChIKeyIOVSXXYNGKBAID-UHFFFAOYSA-N
XLogP5.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.59
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide (CID 10413283) is 2-(3,4-difluorophenyl)-N-methyl-2-phenyl-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-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide is CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)C(c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
The InChIKey is IOVSXXYNGKBAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N2O2/c1-33(29(35)28(22-8-3-2-4-9-22)23-12-13-26(31)27(32)20-23)16-7-17-34-18-14-30(15-19-34)25-11-6-5-10-24(25)21-36-30/h2-6,8-13,20,28H,7,14-19,21H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide has a molecular weight of 490.59 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide is sourced from PubChem (CID 10413283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).