Ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate

C₁₇H₁₄ClNO₂CAS 21139-32-2299.75 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₇H₁₄ClNO₂
Molar mass: 299.75 g/mol
Exact mass: 299.0713 Da
logP: 4.67Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

21139-32-2

SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3

InChIKey

FSLOLRKVZPTMHC-UHFFFAOYSA-N

InChI

InChI=1S/C17H14ClNO2/c1-2-21-17(20)16-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-16/h3-10,19H,2H2,1H3

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Names and synonyms

6 names

5-Chloro-3-phenyl-1H-indole-2-carboxylic acid ethyl ester
1H-Indole-2-carboxylic acid, 5-chloro-3-phenyl-, ethyl ester
Ethyl 5-chloro-3-phenylindole-2-carboxylate
Ethyl 3-phenyl-5-chloroindole-2-carboxylate
Ethyl 5-chloranyl-3-phenyl-1H-indole-2-carboxylate
5-Chloro-3-phenylindole-2-carboxylic acid ethyl ester

Work with Ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-053 % similar 6-Chloroindole-2-carboxylic acid ethyl ester27034-51-150 % similar Ethyl m-chlorobenzoate1128-76-348 % similar Ethyl 2,5-dichlorobenzoate35112-27-746 % similar Ethyl 2,4-dichlorobenzoate56882-52-146 % similar 4-Bromoindole-2-carboxylic acid ethyl ester103858-52-245 % similar Ethyl 4-chlorobenzoate7335-27-545 % similar Ethychlozate27512-72-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

7-Benzyloxy-4-chloro-6-methoxy-quinoline286371-49-1

Elsewhere

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