2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone

C23H25Cl2NO — CID 159881903

IUPAC2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone
SMILESO=C(Cc1cc(Cl)cc(Cl)c1)C1CC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C23H25Cl2NO/c24-19-12-18(13-20(25)15-19)14-22(27)21-16-23(21)7-10-26(11-8-23)9-6-17-4-2-1-3-5-17/h1-5,12-13,15,21H,6-11,14,16H2
InChIKeyNTPZVTIDJLIKIH-UHFFFAOYSA-N
MW402.37 g/mol
LogP5.45
Rot. Bonds6

About 2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone

2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone (PubChem CID 159881903) has the molecular formula C23H25Cl2NO and a molecular weight of 402.37 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone
PubChem CID159881903
Molecular FormulaC23H25Cl2NO
Molecular Weight402.37 g/mol
Exact Mass401.13
IUPAC Name2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone
SMILESO=C(Cc1cc(Cl)cc(Cl)c1)C1CC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C23H25Cl2NO/c24-19-12-18(13-20(25)15-19)14-22(27)21-16-23(21)7-10-26(11-8-23)9-6-17-4-2-1-3-5-17/h1-5,12-13,15,21H,6-11,14,16H2
InChIKeyNTPZVTIDJLIKIH-UHFFFAOYSA-N
XLogP5.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone?
The IUPAC name of 2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone (CID 159881903) is 2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone?
The canonical SMILES for 2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone is O=C(Cc1cc(Cl)cc(Cl)c1)C1CC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone?
The InChIKey is NTPZVTIDJLIKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2NO/c24-19-12-18(13-20(25)15-19)14-22(27)21-16-23(21)7-10-26(11-8-23)9-6-17-4-2-1-3-5-17/h1-5,12-13,15,21H,6-11,14,16H2.
What are the key properties of 2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone?
2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone has a molecular weight of 402.37 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-1-[6-(2-phenylethyl)-6-azaspiro[2.5]octan-2-yl]ethanone is sourced from PubChem (CID 159881903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).