3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one

C23H19Cl2NO — CID 134463057

IUPAC3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one
SMILESC[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1(C)c1ccc(Cl)cc1
InChIInChI=1S/C23H19Cl2NO/c1-15(16-7-11-18(24)12-8-16)26-22(27)20-5-3-4-6-21(20)23(26,2)17-9-13-19(25)14-10-17/h3-15H,1-2H3/t15-,23?/m0/s1
InChIKeySPDLDRLSGMAWTL-NGMICRHFSA-N
MW396.32 g/mol
LogP6.47
Rot. Bonds3

About 3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one

3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one (PubChem CID 134463057) has the molecular formula C23H19Cl2NO and a molecular weight of 396.32 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one
PubChem CID134463057
Molecular FormulaC23H19Cl2NO
Molecular Weight396.32 g/mol
Exact Mass395.08
IUPAC Name3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one
SMILESC[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1(C)c1ccc(Cl)cc1
InChIInChI=1S/C23H19Cl2NO/c1-15(16-7-11-18(24)12-8-16)26-22(27)20-5-3-4-6-21(20)23(26,2)17-9-13-19(25)14-10-17/h3-15H,1-2H3/t15-,23?/m0/s1
InChIKeySPDLDRLSGMAWTL-NGMICRHFSA-N
XLogP6.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.32
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one 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 3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one (CID 134463057) is 3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one is C[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1(C)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one?
The InChIKey is SPDLDRLSGMAWTL-NGMICRHFSA-N. The full InChI is InChI=1S/C23H19Cl2NO/c1-15(16-7-11-18(24)12-8-16)26-22(27)20-5-3-4-6-21(20)23(26,2)17-9-13-19(25)14-10-17/h3-15H,1-2H3/t15-,23?/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one?
3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one has a molecular weight of 396.32 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one is sourced from PubChem (CID 134463057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).