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

C24H24ClNO — CID 138964793

IUPAC(4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone
SMILESCC1=C(C(=O)c2ccc(Cl)cc2)C(c2ccc(C)cc2)=NC12CCCCC2
InChIInChI=1S/C24H24ClNO/c1-16-6-8-18(9-7-16)22-21(23(27)19-10-12-20(25)13-11-19)17(2)24(26-22)14-4-3-5-15-24/h6-13H,3-5,14-15H2,1-2H3
InChIKeyHFORUBVHIVMVBQ-UHFFFAOYSA-N
MW377.92 g/mol
LogP6.35
Rot. Bonds3

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

(4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone (PubChem CID 138964793) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone
PubChem CID138964793
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC Name(4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone
SMILESCC1=C(C(=O)c2ccc(Cl)cc2)C(c2ccc(C)cc2)=NC12CCCCC2
InChIInChI=1S/C24H24ClNO/c1-16-6-8-18(9-7-16)22-21(23(27)19-10-12-20(25)13-11-19)17(2)24(26-22)14-4-3-5-15-24/h6-13H,3-5,14-15H2,1-2H3
InChIKeyHFORUBVHIVMVBQ-UHFFFAOYSA-N
XLogP6.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorophenyl)-(4-methyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)methanone
CID 138964807
(4-benzoyl-2-phenyl-1-azaspiro[4.5]deca-1,3-dien-3-yl)-phenylmethanone
CID 146162486
3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
CID 24733336
(4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066108
[2-(4-chlorophenyl)-3-sulfanylidene-1,4-diazaspiro[4.6]undec-1-en-4-yl]-(4-fluorophenyl)methanone
CID 50743870
N-(3-chloro-4-fluorophenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428895
2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane
CID 143400887
[3-(4-chlorophenyl)-2-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]-(4-methylsulfonylphenyl)methanone
CID 24733310
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
4-(4-chlorophenyl)-2,3-dimethylspiro[8H-thieno[3,2-c]azepine-6,1'-cyclopropane]-7-one
CID 158666618
2-[[2-(4-chlorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 46246971

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone (CID 138964793) is (4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone is CC1=C(C(=O)c2ccc(Cl)cc2)C(c2ccc(C)cc2)=NC12CCCCC2.
What is the InChIKey of (4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone?
The InChIKey is HFORUBVHIVMVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO/c1-16-6-8-18(9-7-16)22-21(23(27)19-10-12-20(25)13-11-19)17(2)24(26-22)14-4-3-5-15-24/h6-13H,3-5,14-15H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone?
(4-chlorophenyl)-[4-methyl-2-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone has a molecular weight of 377.92 g/mol, XLogP of 6.35, 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-(4-methylphenyl)-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone is sourced from PubChem (CID 138964793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).