2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one

C24H24ClN3O2 — CID 24996509

IUPAC2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESO=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2)N1Cc2ccccc2C1
InChIInChI=1S/C24H24ClN3O2/c25-20-10-8-17(9-11-20)22-23(30)28(24(26-22)12-4-1-5-13-24)16-21(29)27-14-18-6-2-3-7-19(18)15-27/h2-3,6-11H,1,4-5,12-16H2
InChIKeyVKEYHTOGWGDCOP-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.17
Rot. Bonds3

About 2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one

2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one (PubChem CID 24996509) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
PubChem CID24996509
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESO=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2)N1Cc2ccccc2C1
InChIInChI=1S/C24H24ClN3O2/c25-20-10-8-17(9-11-20)22-23(30)28(24(26-22)12-4-1-5-13-24)16-21(29)27-14-18-6-2-3-7-19(18)15-27/h2-3,6-11H,1,4-5,12-16H2
InChIKeyVKEYHTOGWGDCOP-UHFFFAOYSA-N
XLogP4.17
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The IUPAC name of 2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one (CID 24996509) is 2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one is O=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2)N1Cc2ccccc2C1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
The InChIKey is VKEYHTOGWGDCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c25-20-10-8-17(9-11-20)22-23(30)28(24(26-22)12-4-1-5-13-24)16-21(29)27-14-18-6-2-3-7-19(18)15-27/h2-3,6-11H,1,4-5,12-16H2.
What are the key properties of 2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one?
2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one has a molecular weight of 421.93 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,4-diazaspiro[4.5]dec-1-en-3-one is sourced from PubChem (CID 24996509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).