2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide

C28H32F3N3O3 — CID 10481628

IUPAC2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCN(CCCN1CCC2(CC1)OCc1ccc(F)cc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1=O
InChIInChI=1S/C28H32F3N3O3/c1-32(27(36)26(34-13-2-4-25(34)35)19-6-8-23(30)24(31)16-19)11-3-12-33-14-9-28(10-15-33)22-17-21(29)7-5-20(22)18-37-28/h5-8,16-17,26H,2-4,9-15,18H2,1H3
InChIKeyGUANWCFURMSSBD-UHFFFAOYSA-N
MW515.58 g/mol
LogP4.14
Rot. Bonds7

About 2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide

2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 10481628) has the molecular formula C28H32F3N3O3 and a molecular weight of 515.58 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID10481628
Molecular FormulaC28H32F3N3O3
Molecular Weight515.58 g/mol
Exact Mass515.24
IUPAC Name2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCN(CCCN1CCC2(CC1)OCc1ccc(F)cc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1=O
InChIInChI=1S/C28H32F3N3O3/c1-32(27(36)26(34-13-2-4-25(34)35)19-6-8-23(30)24(31)16-19)11-3-12-33-14-9-28(10-15-33)22-17-21(29)7-5-20(22)18-37-28/h5-8,16-17,26H,2-4,9-15,18H2,1H3
InChIKeyGUANWCFURMSSBD-UHFFFAOYSA-N
XLogP4.14
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.58
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide with MolForge

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Related Compounds

2-(3,4-difluorophenyl)-N-ethyl-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 10459635
2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 10255465
2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
CID 10413283
2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 10097500
2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide
CID 142929917
2-[(2-chloro-5-hydroxyphenyl)methyl]-3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
CID 58948297
1-(4-fluorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol;oxalic acid
CID 22012237
4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-methyl-N-(2-phenylethyl)butanamide
CID 59763412
ethyl 2-[[2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-3-(1,3-thiazol-4-yl)propanoyl]-methylamino]acetate
CID 69264568
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(4-methylpyrazol-1-yl)propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 69264409
2-[(4-chloropyrazol-1-yl)methyl]-3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 69263911
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 69263934

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide (CID 10481628) is 2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide is CN(CCCN1CCC2(CC1)OCc1ccc(F)cc12)C(=O)C(c1ccc(F)c(F)c1)N1CCCC1=O.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is GUANWCFURMSSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O3/c1-32(27(36)26(34-13-2-4-25(34)35)19-6-8-23(30)24(31)16-19)11-3-12-33-14-9-28(10-15-33)22-17-21(29)7-5-20(22)18-37-28/h5-8,16-17,26H,2-4,9-15,18H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 515.58 g/mol, XLogP of 4.14, 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-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 10481628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).