(4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane

C23H24BrClN2O2 — CID 143538228

IUPAC(4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane
SMILESCCC1CC1.O=C1C[C@@H](c2cccc(Cl)c2)C2(CN1)C(=O)Nc1cc(Br)ccc12
InChIInChI=1S/C18H14BrClN2O2.C5H10/c19-11-4-5-13-15(7-11)22-17(24)18(13)9-21-16(23)8-14(18)10-2-1-3-12(20)6-10;1-2-5-3-4-5/h1-7,14H,8-9H2,(H,21,23)(H,22,24);5H,2-4H2,1H3/t14-,18?;/m0./s1
InChIKeyRQKFQQMLUCNAPQ-WVEXQUBRSA-N
MW475.81 g/mol
LogP5.40
Rot. Bonds2

About (4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane

(4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane (PubChem CID 143538228) has the molecular formula C23H24BrClN2O2 and a molecular weight of 475.81 g/mol. Its IUPAC name is (4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane.

Molecular Properties

Compound Name(4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane
PubChem CID143538228
Molecular FormulaC23H24BrClN2O2
Molecular Weight475.81 g/mol
Exact Mass474.07
IUPAC Name(4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane
SMILESCCC1CC1.O=C1C[C@@H](c2cccc(Cl)c2)C2(CN1)C(=O)Nc1cc(Br)ccc12
InChIInChI=1S/C18H14BrClN2O2.C5H10/c19-11-4-5-13-15(7-11)22-17(24)18(13)9-21-16(23)8-14(18)10-2-1-3-12(20)6-10;1-2-5-3-4-5/h1-7,14H,8-9H2,(H,21,23)(H,22,24);5H,2-4H2,1H3/t14-,18?;/m0./s1
InChIKeyRQKFQQMLUCNAPQ-WVEXQUBRSA-N
XLogP5.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.81
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane?
The IUPAC name of (4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane (CID 143538228) is (4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane.
What is the SMILES notation for (4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane?
The canonical SMILES for (4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane is CCC1CC1.O=C1C[C@@H](c2cccc(Cl)c2)C2(CN1)C(=O)Nc1cc(Br)ccc12.
What is the InChIKey of (4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane?
The InChIKey is RQKFQQMLUCNAPQ-WVEXQUBRSA-N. The full InChI is InChI=1S/C18H14BrClN2O2.C5H10/c19-11-4-5-13-15(7-11)22-17(24)18(13)9-21-16(23)8-14(18)10-2-1-3-12(20)6-10;1-2-5-3-4-5/h1-7,14H,8-9H2,(H,21,23)(H,22,24);5H,2-4H2,1H3/t14-,18?;/m0./s1.
What are the key properties of (4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane?
(4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane has a molecular weight of 475.81 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4'S)-6-bromo-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;ethylcyclopropane is sourced from PubChem (CID 143538228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).