ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate

C19H15Cl2NO3 — CID 122192016

IUPACethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2NO3/c1-2-25-19(24)18-17(14-8-7-13(21)10-15(14)22-18)16(23)9-11-3-5-12(20)6-4-11/h3-8,10,22H,2,9H2,1H3
InChIKeyKOIGYDIVHPNTRE-UHFFFAOYSA-N
MW376.24 g/mol
LogP5.08
Rot. Bonds5

About ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate

ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate (PubChem CID 122192016) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate
PubChem CID122192016
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Nameethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2NO3/c1-2-25-19(24)18-17(14-8-7-13(21)10-15(14)22-18)16(23)9-11-3-5-12(20)6-4-11/h3-8,10,22H,2,9H2,1H3
InChIKeyKOIGYDIVHPNTRE-UHFFFAOYSA-N
XLogP5.08
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.24
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-chloro-3-[3-(4-chlorophenyl)propanoyl]-1H-indole-2-carboxylate
CID 123995152
ethyl 6-chloro-3-propanoyl-1H-indole-2-carboxylate
CID 122192007
ethyl 6-chloro-3-dodecanoyl-1H-indole-2-carboxylate
CID 122192011
ethyl 6-chloro-3-[2-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxylate
CID 102170434
ethyl 3-(3-bromophenyl)sulfanyl-6-chloro-1H-indole-2-carboxylate
CID 66765354
ethyl 6-chloro-3-formyl-1H-indole-2-carboxylate;ethyl 6-chloro-1H-indole-2-carboxylate
CID 158792265
ethyl 6-chloro-3-[(E)-(pentanoylhydrazinylidene)methyl]-1H-indole-2-carboxylate
CID 155528084
4-O-[(4-chlorophenyl)methyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7198663
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
ethyl 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxylate
CID 77245996
ethyl 6-chloro-3-[(E)-(4-methylpentanoylhydrazinylidene)methyl]-1H-indole-2-carboxylate
CID 155551132
ethyl 3-(4-chlorophenyl)-5-ethoxy-1H-indole-2-carboxylate
CID 94830137

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate (CID 122192016) is ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate?
The InChIKey is KOIGYDIVHPNTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-2-25-19(24)18-17(14-8-7-13(21)10-15(14)22-18)16(23)9-11-3-5-12(20)6-4-11/h3-8,10,22H,2,9H2,1H3.
What are the key properties of ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate?
ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate has a molecular weight of 376.24 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-3-[2-(4-chlorophenyl)acetyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 122192016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).