N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

C20H20Cl2FN3O — CID 23764412

IUPACN-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN1CCC2(CC1)CN(C(=O)Nc1cccc(Cl)c1Cl)c1ccc(F)cc12
InChIInChI=1S/C20H20Cl2FN3O/c1-25-9-7-20(8-10-25)12-26(17-6-5-13(23)11-14(17)20)19(27)24-16-4-2-3-15(21)18(16)22/h2-6,11H,7-10,12H2,1H3,(H,24,27)
InChIKeyMJDOOKCQDXREMU-UHFFFAOYSA-N
MW408.30 g/mol
LogP5.15
Rot. Bonds1

About N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23764412) has the molecular formula C20H20Cl2FN3O and a molecular weight of 408.30 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23764412
Molecular FormulaC20H20Cl2FN3O
Molecular Weight408.30 g/mol
Exact Mass407.10
IUPAC NameN-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN1CCC2(CC1)CN(C(=O)Nc1cccc(Cl)c1Cl)c1ccc(F)cc12
InChIInChI=1S/C20H20Cl2FN3O/c1-25-9-7-20(8-10-25)12-26(17-6-5-13(23)11-14(17)20)19(27)24-16-4-2-3-15(21)18(16)22/h2-6,11H,7-10,12H2,1H3,(H,24,27)
InChIKeyMJDOOKCQDXREMU-UHFFFAOYSA-N
XLogP5.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.30
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-(3-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23856682
N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23827573
(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23989391
tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 143399561
N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23854299
5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
CID 149159822
N-(2,4-difluorophenyl)-5-fluoro-1'-(naphthalen-2-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23997128
1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59004167
N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23769527
N-(4-chlorophenyl)-1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59004048
1'-cyclopropyl-N-(3-fluorophenyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23877217
1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
CID 71130193

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23764412) is N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN1CCC2(CC1)CN(C(=O)Nc1cccc(Cl)c1Cl)c1ccc(F)cc12.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is MJDOOKCQDXREMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2FN3O/c1-25-9-7-20(8-10-25)12-26(17-6-5-13(23)11-14(17)20)19(27)24-16-4-2-3-15(21)18(16)22/h2-6,11H,7-10,12H2,1H3,(H,24,27).
What are the key properties of N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 408.30 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23764412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).