2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide

C25H31ClN2O2 — CID 58685214

IUPAC2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide
SMILESCC(C)(C(=O)NCCCN1CCC2(CC1)OCc1ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C25H31ClN2O2/c1-24(2,20-8-10-21(26)11-9-20)23(29)27-14-5-15-28-16-12-25(13-17-28)22-7-4-3-6-19(22)18-30-25/h3-4,6-11H,5,12-18H2,1-2H3,(H,27,29)
InChIKeyXYFICKNLAZBVOY-UHFFFAOYSA-N
MW426.99 g/mol
LogP4.65
Rot. Bonds6

About 2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide

2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide (PubChem CID 58685214) has the molecular formula C25H31ClN2O2 and a molecular weight of 426.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide
PubChem CID58685214
Molecular FormulaC25H31ClN2O2
Molecular Weight426.99 g/mol
Exact Mass426.21
IUPAC Name2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide
SMILESCC(C)(C(=O)NCCCN1CCC2(CC1)OCc1ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C25H31ClN2O2/c1-24(2,20-8-10-21(26)11-9-20)23(29)27-14-5-15-28-16-12-25(13-17-28)22-7-4-3-6-19(22)18-30-25/h3-4,6-11H,5,12-18H2,1-2H3,(H,27,29)
InChIKeyXYFICKNLAZBVOY-UHFFFAOYSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1'-(4-carbazol-9-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 72722918
2-(4-chlorophenyl)-2-hydroxy-N-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-2-(1,3-thiazol-2-yl)acetamide
CID 11756128
1'-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 142475297
N-[2-(4-chlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
CID 10602172
N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine
CID 18700233
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 110437684
2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
CID 10413283
2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide
CID 55873198
2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide
CID 10458014
2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 110437822
1-(4-fluorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol;oxalic acid
CID 22012237

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide (CID 58685214) is 2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide is CC(C)(C(=O)NCCCN1CCC2(CC1)OCc1ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide?
The InChIKey is XYFICKNLAZBVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O2/c1-24(2,20-8-10-21(26)11-9-20)23(29)27-14-5-15-28-16-12-25(13-17-28)22-7-4-3-6-19(22)18-30-25/h3-4,6-11H,5,12-18H2,1-2H3,(H,27,29).
What are the key properties of 2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide?
2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide has a molecular weight of 426.99 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide is sourced from PubChem (CID 58685214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).