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

C19H17Cl2NO4 — CID 71748100

IUPAC4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one
SMILESCOc1ccc(C(=O)CC2(OC)C(=O)N(C)c3c(Cl)ccc(Cl)c32)cc1
InChIInChI=1S/C19H17Cl2NO4/c1-22-17-14(21)9-8-13(20)16(17)19(26-3,18(22)24)10-15(23)11-4-6-12(25-2)7-5-11/h4-9H,10H2,1-3H3
InChIKeyRNBAPEDZAFVIQH-UHFFFAOYSA-N
MW394.25 g/mol
LogP4.09
Rot. Bonds5

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

4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one (PubChem CID 71748100) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is 4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one.

Molecular Properties

Compound Name4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one
PubChem CID71748100
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one
SMILESCOc1ccc(C(=O)CC2(OC)C(=O)N(C)c3c(Cl)ccc(Cl)c32)cc1
InChIInChI=1S/C19H17Cl2NO4/c1-22-17-14(21)9-8-13(20)16(17)19(26-3,18(22)24)10-15(23)11-4-6-12(25-2)7-5-11/h4-9H,10H2,1-3H3
InChIKeyRNBAPEDZAFVIQH-UHFFFAOYSA-N
XLogP4.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one?
The IUPAC name of 4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one (CID 71748100) is 4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one.
What is the SMILES notation for 4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one?
The canonical SMILES for 4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one is COc1ccc(C(=O)CC2(OC)C(=O)N(C)c3c(Cl)ccc(Cl)c32)cc1.
What is the InChIKey of 4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one?
The InChIKey is RNBAPEDZAFVIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c1-22-17-14(21)9-8-13(20)16(17)19(26-3,18(22)24)10-15(23)11-4-6-12(25-2)7-5-11/h4-9H,10H2,1-3H3.
What are the key properties of 4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one?
4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one has a molecular weight of 394.25 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylindol-2-one is sourced from PubChem (CID 71748100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).