3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one

C21H15Cl2NO2 — CID 51349563

IUPAC3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl2NO2/c22-16-9-5-14(6-10-16)13-24-20(25)18-3-1-2-4-19(18)21(24,26)15-7-11-17(23)12-8-15/h1-12,26H,13H2
InChIKeyDGWNHIXOANURKW-UHFFFAOYSA-N
MW384.26 g/mol
LogP4.84
Rot. Bonds3

About 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one

3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one (PubChem CID 51349563) has the molecular formula C21H15Cl2NO2 and a molecular weight of 384.26 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one
PubChem CID51349563
Molecular FormulaC21H15Cl2NO2
Molecular Weight384.26 g/mol
Exact Mass383.05
IUPAC Name3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl2NO2/c22-16-9-5-14(6-10-16)13-24-20(25)18-3-1-2-4-19(18)21(24,26)15-7-11-17(23)12-8-15/h1-12,26H,13H2
InChIKeyDGWNHIXOANURKW-UHFFFAOYSA-N
XLogP4.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one (CID 51349563) is 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one is O=C1c2ccccc2C(O)(c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one?
The InChIKey is DGWNHIXOANURKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NO2/c22-16-9-5-14(6-10-16)13-24-20(25)18-3-1-2-4-19(18)21(24,26)15-7-11-17(23)12-8-15/h1-12,26H,13H2.
What are the key properties of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one?
3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one has a molecular weight of 384.26 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-hydroxyisoindol-1-one is sourced from PubChem (CID 51349563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).