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

C19H15ClFNO3 — CID 122192017

IUPACethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H15ClFNO3/c1-2-25-19(24)18-17(14-8-5-12(20)10-15(14)22-18)16(23)9-11-3-6-13(21)7-4-11/h3-8,10,22H,2,9H2,1H3
InChIKeyAXLXDMCCHNCTRW-UHFFFAOYSA-N
MW359.78 g/mol
LogP4.56
Rot. Bonds5

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

ethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate (PubChem CID 122192017) has the molecular formula C19H15ClFNO3 and a molecular weight of 359.78 g/mol. Its IUPAC name is ethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate
PubChem CID122192017
Molecular FormulaC19H15ClFNO3
Molecular Weight359.78 g/mol
Exact Mass359.07
IUPAC Nameethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H15ClFNO3/c1-2-25-19(24)18-17(14-8-5-12(20)10-15(14)22-18)16(23)9-11-3-6-13(21)7-4-11/h3-8,10,22H,2,9H2,1H3
InChIKeyAXLXDMCCHNCTRW-UHFFFAOYSA-N
XLogP4.56
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate (CID 122192017) is ethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of ethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate?
The InChIKey is AXLXDMCCHNCTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3/c1-2-25-19(24)18-17(14-8-5-12(20)10-15(14)22-18)16(23)9-11-3-6-13(21)7-4-11/h3-8,10,22H,2,9H2,1H3.
What are the key properties of ethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate?
ethyl 6-chloro-3-[2-(4-fluorophenyl)acetyl]-1H-indole-2-carboxylate has a molecular weight of 359.78 g/mol, XLogP of 4.56, 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-fluorophenyl)acetyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 122192017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).