3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one

C24H20BrNO3 — CID 3567592

IUPAC3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
SMILESCc1ccccc1CN1C(=O)C(O)(CC(=O)c2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C24H20BrNO3/c1-16-7-2-3-8-18(16)15-26-21-12-5-4-11-20(21)24(29,23(26)28)14-22(27)17-9-6-10-19(25)13-17/h2-13,29H,14-15H2,1H3
InChIKeyKVMHNLKUPFGPHF-UHFFFAOYSA-N
MW450.33 g/mol
LogP4.76
Rot. Bonds5

About 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one

3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one (PubChem CID 3567592) has the molecular formula C24H20BrNO3 and a molecular weight of 450.33 g/mol. Its IUPAC name is 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one.

Molecular Properties

Compound Name3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
PubChem CID3567592
Molecular FormulaC24H20BrNO3
Molecular Weight450.33 g/mol
Exact Mass449.06
IUPAC Name3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
SMILESCc1ccccc1CN1C(=O)C(O)(CC(=O)c2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C24H20BrNO3/c1-16-7-2-3-8-18(16)15-26-21-12-5-4-11-20(21)24(29,23(26)28)14-22(27)17-9-6-10-19(25)13-17/h2-13,29H,14-15H2,1H3
InChIKeyKVMHNLKUPFGPHF-UHFFFAOYSA-N
XLogP4.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.33
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-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 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one?
The IUPAC name of 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one (CID 3567592) is 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one.
What is the SMILES notation for 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one?
The canonical SMILES for 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one is Cc1ccccc1CN1C(=O)C(O)(CC(=O)c2cccc(Br)c2)c2ccccc21.
What is the InChIKey of 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one?
The InChIKey is KVMHNLKUPFGPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO3/c1-16-7-2-3-8-18(16)15-26-21-12-5-4-11-20(21)24(29,23(26)28)14-22(27)17-9-6-10-19(25)13-17/h2-13,29H,14-15H2,1H3.
What are the key properties of 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one?
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one has a molecular weight of 450.33 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one is sourced from PubChem (CID 3567592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).