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

C28H32F2N4O2 — CID 10368482

IUPAC2-(3,4-difluorophenyl)-N-methyl-2-(2-methylimidazol-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
SMILESCc1nccn1C(C(=O)N(C)CCCN1CCC2(CC1)OCc1ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C28H32F2N4O2/c1-20-31-12-17-34(20)26(21-8-9-24(29)25(30)18-21)27(35)32(2)13-5-14-33-15-10-28(11-16-33)23-7-4-3-6-22(23)19-36-28/h3-4,6-9,12,17-18,26H,5,10-11,13-16,19H2,1-2H3
InChIKeyDHKJISJSSASDHG-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.43
Rot. Bonds7

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

2-(3,4-difluorophenyl)-N-methyl-2-(2-methylimidazol-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide (PubChem CID 10368482) has the molecular formula C28H32F2N4O2 and a molecular weight of 494.59 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-2-(2-methylimidazol-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-methylimidazol-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
PubChem CID10368482
Molecular FormulaC28H32F2N4O2
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-2-(2-methylimidazol-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
SMILESCc1nccn1C(C(=O)N(C)CCCN1CCC2(CC1)OCc1ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C28H32F2N4O2/c1-20-31-12-17-34(20)26(21-8-9-24(29)25(30)18-21)27(35)32(2)13-5-14-33-15-10-28(11-16-33)23-7-4-3-6-22(23)19-36-28/h3-4,6-9,12,17-18,26H,5,10-11,13-16,19H2,1-2H3
InChIKeyDHKJISJSSASDHG-UHFFFAOYSA-N
XLogP4.43
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-2-(2-methylimidazol-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-methylimidazol-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide (CID 10368482) is 2-(3,4-difluorophenyl)-N-methyl-2-(2-methylimidazol-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-methylimidazol-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-methylimidazol-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide is Cc1nccn1C(C(=O)N(C)CCCN1CCC2(CC1)OCc1ccccc12)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-2-(2-methylimidazol-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
The InChIKey is DHKJISJSSASDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N4O2/c1-20-31-12-17-34(20)26(21-8-9-24(29)25(30)18-21)27(35)32(2)13-5-14-33-15-10-28(11-16-33)23-7-4-3-6-22(23)19-36-28/h3-4,6-9,12,17-18,26H,5,10-11,13-16,19H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-2-(2-methylimidazol-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
2-(3,4-difluorophenyl)-N-methyl-2-(2-methylimidazol-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide has a molecular weight of 494.59 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-2-(2-methylimidazol-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide is sourced from PubChem (CID 10368482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).