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

C23H21ClFNO — CID 138964804

IUPAC(4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone
SMILESCC1=C(C(=O)c2ccc(Cl)cc2)C(c2cccc(F)c2)=NC12CCCCC2
InChIInChI=1S/C23H21ClFNO/c1-15-20(22(27)16-8-10-18(24)11-9-16)21(17-6-5-7-19(25)14-17)26-23(15)12-3-2-4-13-23/h5-11,14H,2-4,12-13H2,1H3
InChIKeyPKAPQONUHJNRGQ-UHFFFAOYSA-N
MW381.88 g/mol
LogP6.18
Rot. Bonds3

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

(4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone (PubChem CID 138964804) has the molecular formula C23H21ClFNO and a molecular weight of 381.88 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone
PubChem CID138964804
Molecular FormulaC23H21ClFNO
Molecular Weight381.88 g/mol
Exact Mass381.13
IUPAC Name(4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone
SMILESCC1=C(C(=O)c2ccc(Cl)cc2)C(c2cccc(F)c2)=NC12CCCCC2
InChIInChI=1S/C23H21ClFNO/c1-15-20(22(27)16-8-10-18(24)11-9-16)21(17-6-5-7-19(25)14-17)26-23(15)12-3-2-4-13-23/h5-11,14H,2-4,12-13H2,1H3
InChIKeyPKAPQONUHJNRGQ-UHFFFAOYSA-N
XLogP6.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.88
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone (CID 138964804) is (4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone is CC1=C(C(=O)c2ccc(Cl)cc2)C(c2cccc(F)c2)=NC12CCCCC2.
What is the InChIKey of (4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone?
The InChIKey is PKAPQONUHJNRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFNO/c1-15-20(22(27)16-8-10-18(24)11-9-16)21(17-6-5-7-19(25)14-17)26-23(15)12-3-2-4-13-23/h5-11,14H,2-4,12-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone?
(4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone has a molecular weight of 381.88 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(3-fluorophenyl)-4-methyl-1-azaspiro[4.5]deca-1,3-dien-3-yl]methanone is sourced from PubChem (CID 138964804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).