[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate

C18H13Cl2NO3 — CID 7862850

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2NO3/c1-10-17(13-4-2-3-5-15(13)21-10)16(22)9-24-18(23)12-7-6-11(19)8-14(12)20/h2-8,21H,9H2,1H3
InChIKeyGLHICHUKPVWUPN-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.82
Rot. Bonds4

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate (PubChem CID 7862850) has the molecular formula C18H13Cl2NO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate
PubChem CID7862850
Molecular FormulaC18H13Cl2NO3
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2NO3/c1-10-17(13-4-2-3-5-15(13)21-10)16(22)9-24-18(23)12-7-6-11(19)8-14(12)20/h2-8,21H,9H2,1H3
InChIKeyGLHICHUKPVWUPN-UHFFFAOYSA-N
XLogP4.82
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339192
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865660
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
CID 2689613
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2669339
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 32544911
2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 7751372
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209430
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010293
2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 62505096
(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339219
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853705
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2689721

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate (CID 7862850) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate is Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate?
The InChIKey is GLHICHUKPVWUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3/c1-10-17(13-4-2-3-5-15(13)21-10)16(22)9-24-18(23)12-7-6-11(19)8-14(12)20/h2-8,21H,9H2,1H3.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate has a molecular weight of 362.21 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 7862850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).