1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one

C23H18ClNO3 — CID 3149324

IUPAC1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClNO3/c24-18-12-10-17(11-13-18)21(26)14-23(28)19-8-4-5-9-20(19)25(22(23)27)15-16-6-2-1-3-7-16/h1-13,28H,14-15H2
InChIKeyHXVSGEWPAXVWTR-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.35
Rot. Bonds5

About 1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one

1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one (PubChem CID 3149324) has the molecular formula C23H18ClNO3 and a molecular weight of 391.85 g/mol. Its IUPAC name is 1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
PubChem CID3149324
Molecular FormulaC23H18ClNO3
Molecular Weight391.85 g/mol
Exact Mass391.10
IUPAC Name1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClNO3/c24-18-12-10-17(11-13-18)21(26)14-23(28)19-8-4-5-9-20(19)25(22(23)27)15-16-6-2-1-3-7-16/h1-13,28H,14-15H2
InChIKeyHXVSGEWPAXVWTR-UHFFFAOYSA-N
XLogP4.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-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 1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The IUPAC name of 1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one (CID 3149324) is 1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one.
What is the SMILES notation for 1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The canonical SMILES for 1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one is O=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The InChIKey is HXVSGEWPAXVWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO3/c24-18-12-10-17(11-13-18)21(26)14-23(28)19-8-4-5-9-20(19)25(22(23)27)15-16-6-2-1-3-7-16/h1-13,28H,14-15H2.
What are the key properties of 1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one has a molecular weight of 391.85 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 3149324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).