(4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone

C23H22ClNO — CID 138964807

IUPAC(4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone
SMILESCC1=C(C(=O)c2ccc(Cl)cc2)C(c2ccccc2)=NC12CCCCC2
InChIInChI=1S/C23H22ClNO/c1-16-20(22(26)18-10-12-19(24)13-11-18)21(17-8-4-2-5-9-17)25-23(16)14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-15H2,1H3
InChIKeyLXNGXKFLRILFGJ-UHFFFAOYSA-N
MW363.89 g/mol
LogP6.05
Rot. Bonds3

About (4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone

(4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone (PubChem CID 138964807) has the molecular formula C23H22ClNO and a molecular weight of 363.89 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone
PubChem CID138964807
Molecular FormulaC23H22ClNO
Molecular Weight363.89 g/mol
Exact Mass363.14
IUPAC Name(4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone
SMILESCC1=C(C(=O)c2ccc(Cl)cc2)C(c2ccccc2)=NC12CCCCC2
InChIInChI=1S/C23H22ClNO/c1-16-20(22(26)18-10-12-19(24)13-11-18)21(17-8-4-2-5-9-17)25-23(16)14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-15H2,1H3
InChIKeyLXNGXKFLRILFGJ-UHFFFAOYSA-N
XLogP6.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone (CID 138964807) is (4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone is CC1=C(C(=O)c2ccc(Cl)cc2)C(c2ccccc2)=NC12CCCCC2.
What is the InChIKey of (4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone?
The InChIKey is LXNGXKFLRILFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO/c1-16-20(22(26)18-10-12-19(24)13-11-18)21(17-8-4-2-5-9-17)25-23(16)14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-15H2,1H3.
What are the key properties of (4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone?
(4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone has a molecular weight of 363.89 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone is sourced from PubChem (CID 138964807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).