5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one

C24H19ClN2O — CID 144586629

IUPAC5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one
SMILESCN1C(=O)C2(CC2)N=C1c1ccc(-c2ccc(-c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C24H19ClN2O/c1-27-22(26-24(13-14-24)23(27)28)19-11-9-17(10-12-19)16-5-7-18(8-6-16)20-3-2-4-21(25)15-20/h2-12,15H,13-14H2,1H3
InChIKeyCNZJIVBLJROALX-UHFFFAOYSA-N
MW386.88 g/mol
LogP5.43
Rot. Bonds3

About 5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one

5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one (PubChem CID 144586629) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is 5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one.

Molecular Properties

Compound Name5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one
PubChem CID144586629
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one
SMILESCN1C(=O)C2(CC2)N=C1c1ccc(-c2ccc(-c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C24H19ClN2O/c1-27-22(26-24(13-14-24)23(27)28)19-11-9-17(10-12-19)16-5-7-18(8-6-16)20-3-2-4-21(25)15-20/h2-12,15H,13-14H2,1H3
InChIKeyCNZJIVBLJROALX-UHFFFAOYSA-N
XLogP5.43
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one?
The IUPAC name of 5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one (CID 144586629) is 5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one.
What is the SMILES notation for 5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one?
The canonical SMILES for 5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one is CN1C(=O)C2(CC2)N=C1c1ccc(-c2ccc(-c3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of 5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one?
The InChIKey is CNZJIVBLJROALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O/c1-27-22(26-24(13-14-24)23(27)28)19-11-9-17(10-12-19)16-5-7-18(8-6-16)20-3-2-4-21(25)15-20/h2-12,15H,13-14H2,1H3.
What are the key properties of 5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one?
5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one has a molecular weight of 386.88 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one is sourced from PubChem (CID 144586629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).