5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one

C24H20Cl2FNO3 — CID 18752920

IUPAC5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
SMILESCOc1ccc(CN2C(=O)C(C)(c3ccc(F)cc3Cl)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C24H20Cl2FNO3/c1-24(18-8-6-16(27)11-20(18)26)19-10-15(25)5-9-21(19)28(23(24)29)13-14-4-7-17(30-2)12-22(14)31-3/h4-12H,13H2,1-3H3
InChIKeySGUQLNROMOGYIT-UHFFFAOYSA-N
MW460.33 g/mol
LogP6.00
Rot. Bonds5

About 5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one

5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one (PubChem CID 18752920) has the molecular formula C24H20Cl2FNO3 and a molecular weight of 460.33 g/mol. Its IUPAC name is 5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
PubChem CID18752920
Molecular FormulaC24H20Cl2FNO3
Molecular Weight460.33 g/mol
Exact Mass459.08
IUPAC Name5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
SMILESCOc1ccc(CN2C(=O)C(C)(c3ccc(F)cc3Cl)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C24H20Cl2FNO3/c1-24(18-8-6-16(27)11-20(18)26)19-10-15(25)5-9-21(19)28(23(24)29)13-14-4-7-17(30-2)12-22(14)31-3/h4-12H,13H2,1-3H3
InChIKeySGUQLNROMOGYIT-UHFFFAOYSA-N
XLogP6.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?
The IUPAC name of 5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one (CID 18752920) is 5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one.
What is the SMILES notation for 5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?
The canonical SMILES for 5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one is COc1ccc(CN2C(=O)C(C)(c3ccc(F)cc3Cl)c3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of 5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?
The InChIKey is SGUQLNROMOGYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FNO3/c1-24(18-8-6-16(27)11-20(18)26)19-10-15(25)5-9-21(19)28(23(24)29)13-14-4-7-17(30-2)12-22(14)31-3/h4-12H,13H2,1-3H3.
What are the key properties of 5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one?
5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one has a molecular weight of 460.33 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chloro-4-fluorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one is sourced from PubChem (CID 18752920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).