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

C32H28F3N3O — CID 23790416

IUPACN-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CC2(CCN(Cc3ccccc3-c3ccccc3)CC2)c2cc(F)ccc21
InChIInChI=1S/C32H28F3N3O/c33-24-11-13-30-27(18-24)32(21-38(30)31(39)36-29-12-10-25(34)19-28(29)35)14-16-37(17-15-32)20-23-8-4-5-9-26(23)22-6-2-1-3-7-22/h1-13,18-19H,14-17,20-21H2,(H,36,39)
InChIKeyCPFPVEVDOCKCHJ-UHFFFAOYSA-N
MW527.59 g/mol
LogP7.36
Rot. Bonds4

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

N-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23790416) has the molecular formula C32H28F3N3O and a molecular weight of 527.59 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23790416
Molecular FormulaC32H28F3N3O
Molecular Weight527.59 g/mol
Exact Mass527.22
IUPAC NameN-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CC2(CCN(Cc3ccccc3-c3ccccc3)CC2)c2cc(F)ccc21
InChIInChI=1S/C32H28F3N3O/c33-24-11-13-30-27(18-24)32(21-38(30)31(39)36-29-12-10-25(34)19-28(29)35)14-16-37(17-15-32)20-23-8-4-5-9-26(23)22-6-2-1-3-7-22/h1-13,18-19H,14-17,20-21H2,(H,36,39)
InChIKeyCPFPVEVDOCKCHJ-UHFFFAOYSA-N
XLogP7.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23997128
N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23854299
5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23876609
1'-[(4-cyanophenyl)methyl]-N-(2,6-dimethylphenyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23820634
methyl 4-[[1-[(4-chlorophenyl)carbamoyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoate
CID 23764355
1-(1'-benzyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-3,3-dimethylbutan-1-one
CID 23760772
N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59004048
5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23932409
5-fluoro-N-(3-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23932421
N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23764412
1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23736691
5-fluoro-N-(3-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23856682

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23790416) is N-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CC2(CCN(Cc3ccccc3-c3ccccc3)CC2)c2cc(F)ccc21.
What is the InChIKey of N-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is CPFPVEVDOCKCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3N3O/c33-24-11-13-30-27(18-24)32(21-38(30)31(39)36-29-12-10-25(34)19-28(29)35)14-16-37(17-15-32)20-23-8-4-5-9-26(23)22-6-2-1-3-7-22/h1-13,18-19H,14-17,20-21H2,(H,36,39).
What are the key properties of N-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N-(2,4-difluorophenyl)-5-fluoro-1'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 527.59 g/mol, XLogP of 7.36, 4 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'-[(2-phenylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23790416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).