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

C20H19Cl2FN2O — CID 23989391

IUPAC(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESCN1CCC2(CC1)CN(C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(F)cc12
InChIInChI=1S/C20H19Cl2FN2O/c1-24-6-4-20(5-7-24)12-25(18-3-2-16(23)11-17(18)20)19(26)13-8-14(21)10-15(22)9-13/h2-3,8-11H,4-7,12H2,1H3
InChIKeyBXIZFAVIAKRZCS-UHFFFAOYSA-N
MW393.29 g/mol
LogP4.76
Rot. Bonds1

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

(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (PubChem CID 23989391) has the molecular formula C20H19Cl2FN2O and a molecular weight of 393.29 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
PubChem CID23989391
Molecular FormulaC20H19Cl2FN2O
Molecular Weight393.29 g/mol
Exact Mass392.09
IUPAC Name(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESCN1CCC2(CC1)CN(C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(F)cc12
InChIInChI=1S/C20H19Cl2FN2O/c1-24-6-4-20(5-7-24)12-25(18-3-2-16(23)11-17(18)20)19(26)13-8-14(21)10-15(22)9-13/h2-3,8-11H,4-7,12H2,1H3
InChIKeyBXIZFAVIAKRZCS-UHFFFAOYSA-N
XLogP4.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The IUPAC name of (3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (CID 23989391) is (3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The canonical SMILES for (3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is CN1CCC2(CC1)CN(C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(F)cc12.
What is the InChIKey of (3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The InChIKey is BXIZFAVIAKRZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN2O/c1-24-6-4-20(5-7-24)12-25(18-3-2-16(23)11-17(18)20)19(26)13-8-14(21)10-15(22)9-13/h2-3,8-11H,4-7,12H2,1H3.
What are the key properties of (3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone has a molecular weight of 393.29 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is sourced from PubChem (CID 23989391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).