[5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate

C24H20Cl2N2O3 — CID 67634682

IUPAC[5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)ON1C(=O)C(c2ccccc2Cl)(N(C)C)c2cc(Cl)ccc21
InChIInChI=1S/C24H20Cl2N2O3/c1-15-8-4-5-9-17(15)22(29)31-28-21-13-12-16(25)14-19(21)24(23(28)30,27(2)3)18-10-6-7-11-20(18)26/h4-14H,1-3H3
InChIKeyMCCAIZDGDKGZDJ-UHFFFAOYSA-N
MW455.34 g/mol
LogP5.23
Rot. Bonds4

About [5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate

[5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate (PubChem CID 67634682) has the molecular formula C24H20Cl2N2O3 and a molecular weight of 455.34 g/mol. Its IUPAC name is [5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate.

Molecular Properties

Compound Name[5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate
PubChem CID67634682
Molecular FormulaC24H20Cl2N2O3
Molecular Weight455.34 g/mol
Exact Mass454.09
IUPAC Name[5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)ON1C(=O)C(c2ccccc2Cl)(N(C)C)c2cc(Cl)ccc21
InChIInChI=1S/C24H20Cl2N2O3/c1-15-8-4-5-9-17(15)22(29)31-28-21-13-12-16(25)14-19(21)24(23(28)30,27(2)3)18-10-6-7-11-20(18)26/h4-14H,1-3H3
InChIKeyMCCAIZDGDKGZDJ-UHFFFAOYSA-N
XLogP5.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate?
The IUPAC name of [5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate (CID 67634682) is [5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate.
What is the SMILES notation for [5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate?
The canonical SMILES for [5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate is Cc1ccccc1C(=O)ON1C(=O)C(c2ccccc2Cl)(N(C)C)c2cc(Cl)ccc21.
What is the InChIKey of [5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate?
The InChIKey is MCCAIZDGDKGZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O3/c1-15-8-4-5-9-17(15)22(29)31-28-21-13-12-16(25)14-19(21)24(23(28)30,27(2)3)18-10-6-7-11-20(18)26/h4-14H,1-3H3.
What are the key properties of [5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate?
[5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate has a molecular weight of 455.34 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(2-chlorophenyl)-3-(dimethylamino)-2-oxoindol-1-yl] 2-methylbenzoate is sourced from PubChem (CID 67634682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).