methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate

C17H11Cl2NO3 — CID 2944282

IUPACmethyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cc(Cl)ccc2Cl)c2ccccc12
InChIInChI=1S/C17H11Cl2NO3/c1-23-17(22)13-9-20(15-5-3-2-4-11(13)15)16(21)12-8-10(18)6-7-14(12)19/h2-9H,1H3
InChIKeyKPVGLMZQLFVHGB-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.42
Rot. Bonds2

About methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate

methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate (PubChem CID 2944282) has the molecular formula C17H11Cl2NO3 and a molecular weight of 348.19 g/mol. Its IUPAC name is methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate
PubChem CID2944282
Molecular FormulaC17H11Cl2NO3
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC Namemethyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cc(Cl)ccc2Cl)c2ccccc12
InChIInChI=1S/C17H11Cl2NO3/c1-23-17(22)13-9-20(15-5-3-2-4-11(13)15)16(21)12-8-10(18)6-7-14(12)19/h2-9H,1H3
InChIKeyKPVGLMZQLFVHGB-UHFFFAOYSA-N
XLogP4.42
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
1-[1-Naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester
CID 2016258
Methyl 1-(3-methylbenzoyl)-1H-indole-3-carboxylate
CID 3146123
methyl 1-(4-fluorobenzyl)-1H-indole-3-carboxylate
CID 951976
(E)-methyl 4-((4-chloro-2-oxo-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-1-yl)methyl)benzoate
CID 54580802
Methyl 1-(5-fluoropentyl)indole-3-carboxylate
CID 124518895
1-Cyclohexylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester
CID 645611
methyl 1-(3,4-dimethylbenzoyl)-1H-indole-3-carboxylate
CID 887413
methyl 1-(5-bromo-2-chlorobenzoyl)-1H-indole-3-carboxylate
CID 1294382
Ethyl 2-(2-chlorophenyl)indolizine-1-carboxylate
CID 1491222
Methyl 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate
CID 2949967
Methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carboxylate
CID 3155647

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate (CID 2944282) is methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate is COC(=O)c1cn(C(=O)c2cc(Cl)ccc2Cl)c2ccccc12.
What is the InChIKey of methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate?
The InChIKey is KPVGLMZQLFVHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3/c1-23-17(22)13-9-20(15-5-3-2-4-11(13)15)16(21)12-8-10(18)6-7-14(12)19/h2-9H,1H3.
What are the key properties of methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate?
methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate has a molecular weight of 348.19 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,5-dichlorobenzoyl)indole-3-carboxylate is sourced from PubChem (CID 2944282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).