ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate

C17H14FNO2 — CID 142425833

IUPACethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(-c3ccc(F)cc3)c2[nH]1
InChIInChI=1S/C17H14FNO2/c1-2-21-17(20)15-10-12-4-3-5-14(16(12)19-15)11-6-8-13(18)9-7-11/h3-10,19H,2H2,1H3
InChIKeyCNOUSTQTSRLXIY-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.15
Rot. Bonds3

About ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate

ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate (PubChem CID 142425833) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate
PubChem CID142425833
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Nameethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(-c3ccc(F)cc3)c2[nH]1
InChIInChI=1S/C17H14FNO2/c1-2-21-17(20)15-10-12-4-3-5-14(16(12)19-15)11-6-8-13(18)9-7-11/h3-10,19H,2H2,1H3
InChIKeyCNOUSTQTSRLXIY-UHFFFAOYSA-N
XLogP4.15
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate
CID 171663092
ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate
CID 171663080
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 19042831
acetyl chloride;ethyl 7-acetyl-1H-indole-2-carboxylate
CID 161410841
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 7-prop-2-enyl-1H-indole-2-carboxylate
CID 10398931
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 174789761
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681
ethyl 5-(4-fluorophenyl)-4-phenylthiophene-2-carboxylate
CID 131954949
ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate
CID 10207532

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate (CID 142425833) is ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cccc(-c3ccc(F)cc3)c2[nH]1.
What is the InChIKey of ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate?
The InChIKey is CNOUSTQTSRLXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-2-21-17(20)15-10-12-4-3-5-14(16(12)19-15)11-6-8-13(18)9-7-11/h3-10,19H,2H2,1H3.
What are the key properties of ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate?
ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate has a molecular weight of 283.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 142425833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).