(3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione

C24H17Cl2NO2 — CID 1312436

IUPAC(3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
SMILESO=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H17Cl2NO2/c25-18-11-12-20(19(26)13-18)27-21(28)14-23(22(27)29)15-24(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14-15H2/t23-/m0/s1
InChIKeyALAPCKDLKCTPHK-QHCPKHFHSA-N
MW422.31 g/mol
LogP5.63
Rot. Bonds3

About (3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione

(3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione (PubChem CID 1312436) has the molecular formula C24H17Cl2NO2 and a molecular weight of 422.31 g/mol. Its IUPAC name is (3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione.

Molecular Properties

Compound Name(3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
PubChem CID1312436
Molecular FormulaC24H17Cl2NO2
Molecular Weight422.31 g/mol
Exact Mass421.06
IUPAC Name(3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
SMILESO=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H17Cl2NO2/c25-18-11-12-20(19(26)13-18)27-21(28)14-23(22(27)29)15-24(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14-15H2/t23-/m0/s1
InChIKeyALAPCKDLKCTPHK-QHCPKHFHSA-N
XLogP5.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.31
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione?
The IUPAC name of (3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione (CID 1312436) is (3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione.
What is the SMILES notation for (3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione?
The canonical SMILES for (3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione is O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc(Cl)cc1Cl.
What is the InChIKey of (3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione?
The InChIKey is ALAPCKDLKCTPHK-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H17Cl2NO2/c25-18-11-12-20(19(26)13-18)27-21(28)14-23(22(27)29)15-24(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14-15H2/t23-/m0/s1.
What are the key properties of (3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione?
(3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione has a molecular weight of 422.31 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(2,4-dichlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione is sourced from PubChem (CID 1312436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).