N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C27H26F3N3O — CID 23854299

IUPACN-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1cccc(CN2CCC3(CC2)CN(C(=O)Nc2ccc(F)cc2F)c2ccc(F)cc23)c1
InChIInChI=1S/C27H26F3N3O/c1-18-3-2-4-19(13-18)16-32-11-9-27(10-12-32)17-33(25-8-6-20(28)14-22(25)27)26(34)31-24-7-5-21(29)15-23(24)30/h2-8,13-15H,9-12,16-17H2,1H3,(H,31,34)
InChIKeyNFFPFYQPFRTOGG-UHFFFAOYSA-N
MW465.52 g/mol
LogP6.00
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23854299) has the molecular formula C27H26F3N3O and a molecular weight of 465.52 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23854299
Molecular FormulaC27H26F3N3O
Molecular Weight465.52 g/mol
Exact Mass465.20
IUPAC NameN-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1cccc(CN2CCC3(CC2)CN(C(=O)Nc2ccc(F)cc2F)c2ccc(F)cc23)c1
InChIInChI=1S/C27H26F3N3O/c1-18-3-2-4-19(13-18)16-32-11-9-27(10-12-32)17-33(25-8-6-20(28)14-22(25)27)26(34)31-24-7-5-21(29)15-23(24)30/h2-8,13-15H,9-12,16-17H2,1H3,(H,31,34)
InChIKeyNFFPFYQPFRTOGG-UHFFFAOYSA-N
XLogP6.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23854299) is N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is Cc1cccc(CN2CCC3(CC2)CN(C(=O)Nc2ccc(F)cc2F)c2ccc(F)cc23)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is NFFPFYQPFRTOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O/c1-18-3-2-4-19(13-18)16-32-11-9-27(10-12-32)17-33(25-8-6-20(28)14-22(25)27)26(34)31-24-7-5-21(29)15-23(24)30/h2-8,13-15H,9-12,16-17H2,1H3,(H,31,34).
What are the key properties of N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23854299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).