ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate

C20H19Cl2NO3 — CID 174282944

IUPACethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C(C)c1ccccc1OC
InChIInChI=1S/C20H19Cl2NO3/c1-4-26-20(24)19-17(11(2)13-7-5-6-8-16(13)25-3)18-14(22)9-12(21)10-15(18)23-19/h5-11,23H,4H2,1-3H3
InChIKeySDAYOZZRPSHBAG-UHFFFAOYSA-N
MW392.28 g/mol
LogP5.81
Rot. Bonds5

About ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate

ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate (PubChem CID 174282944) has the molecular formula C20H19Cl2NO3 and a molecular weight of 392.28 g/mol. Its IUPAC name is ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate
PubChem CID174282944
Molecular FormulaC20H19Cl2NO3
Molecular Weight392.28 g/mol
Exact Mass391.07
IUPAC Nameethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C(C)c1ccccc1OC
InChIInChI=1S/C20H19Cl2NO3/c1-4-26-20(24)19-17(11(2)13-7-5-6-8-16(13)25-3)18-14(22)9-12(21)10-15(18)23-19/h5-11,23H,4H2,1-3H3
InChIKeySDAYOZZRPSHBAG-UHFFFAOYSA-N
XLogP5.81
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.28
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[1-[2-(aminomethyl)phenyl]ethyl]-4,6-dichloro-1H-indole-2-carboxylate
CID 174281477
3-(4,6-dichloro-2-ethoxycarbonyl-1H-indol-3-yl)-3-hydroxy-2-(3-methoxyphenyl)propanoic acid
CID 22407054
ethyl 3-[(benzylamino)methyl]-4,6-dichloro-1H-indole-2-carboxylate
CID 10926924
ethyl 3-[2-[2-(aminomethyl)phenyl]ethyl]-4,6-dichloro-1H-indole-2-carboxylate
CID 174286195
3-(4,6-dichloro-2-ethoxycarbonyl-1H-indol-3-yl)prop-2-enoic acid
CID 53401090
ethyl 4,6-dichloro-3-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-1H-indole-2-carboxylate
CID 21460746
(E)-2-(4-chlorophenyl)-3-(4,6-dichloro-2-ethoxycarbonyl-1H-indol-3-yl)prop-2-enoic acid
CID 22407036
ethyl 4,6-dichloro-3-(1,3-dioxolan-2-yl)-1H-indole-2-carboxylate
CID 170874265
ethyl 4-chloro-9H-carbazole-2-carboxylate
CID 59626415
ethyl 3-formyl-4-methoxy-1H-indole-2-carboxylate
CID 154727990
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
ethyl 5,7-dichloro-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-11-carboxylate
CID 10715804

Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate (CID 174282944) is ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C(C)c1ccccc1OC.
What is the InChIKey of ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate?
The InChIKey is SDAYOZZRPSHBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO3/c1-4-26-20(24)19-17(11(2)13-7-5-6-8-16(13)25-3)18-14(22)9-12(21)10-15(18)23-19/h5-11,23H,4H2,1-3H3.
What are the key properties of ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate?
ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate has a molecular weight of 392.28 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 174282944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).