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

C24H18ClNO2 — CID 1329982

IUPAC(3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
SMILESO=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C24H18ClNO2/c25-19-12-7-13-20(14-19)26-21(27)15-23(22(26)28)16-24(23,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14H,15-16H2/t23-/m1/s1
InChIKeyXXRALQMOYBZHSU-HSZRJFAPSA-N
MW387.87 g/mol
LogP4.98
Rot. Bonds3

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

(3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione (PubChem CID 1329982) has the molecular formula C24H18ClNO2 and a molecular weight of 387.87 g/mol. Its IUPAC name is (3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione.

Molecular Properties

Compound Name(3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
PubChem CID1329982
Molecular FormulaC24H18ClNO2
Molecular Weight387.87 g/mol
Exact Mass387.10
IUPAC Name(3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
SMILESO=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C24H18ClNO2/c25-19-12-7-13-20(14-19)26-21(27)15-23(22(26)28)16-24(23,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14H,15-16H2/t23-/m1/s1
InChIKeyXXRALQMOYBZHSU-HSZRJFAPSA-N
XLogP4.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 3713625
7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 15176093
8-(3-chlorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione
CID 81167435
1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 60886395
(5S)-3-(2,4-dichlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7481591
(5R)-3-(2,4-dichlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7481590
(2R,6R,8R,12R)-4,10-bis(3-chlorophenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 124766453
(1R,2R,6R,7R)-4-(3-chlorophenyl)-8,9-bis(4-methylphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 124908986
4-(3-chlorophenyl)-1,2,4-triazole-3,5-dione
CID 15179076
3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 720525
3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione
CID 79285648
5,6-bis(3-chlorophenyl)-5,6-diazaspiro[2.4]heptane-4,7-dione
CID 171843838

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione?
The IUPAC name of (3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione (CID 1329982) is (3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione.
What is the SMILES notation for (3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione?
The canonical SMILES for (3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione is O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione?
The InChIKey is XXRALQMOYBZHSU-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H18ClNO2/c25-19-12-7-13-20(14-19)26-21(27)15-23(22(26)28)16-24(23,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14H,15-16H2/t23-/m1/s1.
What are the key properties of (3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione?
(3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione has a molecular weight of 387.87 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione is sourced from PubChem (CID 1329982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).