4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one

C18H15Cl2NO4 — CID 71811894

IUPAC4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one
SMILESCOc1ccc(C(=O)CC2(O)C(=O)N(C)c3c(Cl)ccc(Cl)c32)cc1
InChIInChI=1S/C18H15Cl2NO4/c1-21-16-13(20)8-7-12(19)15(16)18(24,17(21)23)9-14(22)10-3-5-11(25-2)6-4-10/h3-8,24H,9H2,1-2H3
InChIKeyGVQHAGOWUURSAR-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.44
Rot. Bonds4

About 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one

4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one (PubChem CID 71811894) has the molecular formula C18H15Cl2NO4 and a molecular weight of 380.23 g/mol. Its IUPAC name is 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one.

Molecular Properties

Compound Name4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one
PubChem CID71811894
Molecular FormulaC18H15Cl2NO4
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC Name4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one
SMILESCOc1ccc(C(=O)CC2(O)C(=O)N(C)c3c(Cl)ccc(Cl)c32)cc1
InChIInChI=1S/C18H15Cl2NO4/c1-21-16-13(20)8-7-12(19)15(16)18(24,17(21)23)9-14(22)10-3-5-11(25-2)6-4-10/h3-8,24H,9H2,1-2H3
InChIKeyGVQHAGOWUURSAR-UHFFFAOYSA-N
XLogP3.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one?
The IUPAC name of 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one (CID 71811894) is 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one.
What is the SMILES notation for 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one?
The canonical SMILES for 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one is COc1ccc(C(=O)CC2(O)C(=O)N(C)c3c(Cl)ccc(Cl)c32)cc1.
What is the InChIKey of 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one?
The InChIKey is GVQHAGOWUURSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4/c1-21-16-13(20)8-7-12(19)15(16)18(24,17(21)23)9-14(22)10-3-5-11(25-2)6-4-10/h3-8,24H,9H2,1-2H3.
What are the key properties of 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one?
4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one has a molecular weight of 380.23 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one is sourced from PubChem (CID 71811894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).