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

C23H18ClNO3 — CID 51350115

IUPAC2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one
SMILESCC(=O)c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClNO3/c1-15(26)17-8-6-16(7-9-17)14-25-22(27)20-4-2-3-5-21(20)23(25,28)18-10-12-19(24)13-11-18/h2-13,28H,14H2,1H3
InChIKeyWPVMCSFCDNXBJK-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.39
Rot. Bonds4

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

2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one (PubChem CID 51350115) has the molecular formula C23H18ClNO3 and a molecular weight of 391.85 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one.

Molecular Properties

Compound Name2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one
PubChem CID51350115
Molecular FormulaC23H18ClNO3
Molecular Weight391.85 g/mol
Exact Mass391.10
IUPAC Name2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one
SMILESCC(=O)c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClNO3/c1-15(26)17-8-6-16(7-9-17)14-25-22(27)20-4-2-3-5-21(20)23(25,28)18-10-12-19(24)13-11-18/h2-13,28H,14H2,1H3
InChIKeyWPVMCSFCDNXBJK-UHFFFAOYSA-N
XLogP4.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one?
The IUPAC name of 2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one (CID 51350115) is 2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one.
What is the SMILES notation for 2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one?
The canonical SMILES for 2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one is CC(=O)c1ccc(CN2C(=O)c3ccccc3C2(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one?
The InChIKey is WPVMCSFCDNXBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO3/c1-15(26)17-8-6-16(7-9-17)14-25-22(27)20-4-2-3-5-21(20)23(25,28)18-10-12-19(24)13-11-18/h2-13,28H,14H2,1H3.
What are the key properties of 2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one?
2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one has a molecular weight of 391.85 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one is sourced from PubChem (CID 51350115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).