5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide

C17H12F2N2O2 — CID 171077936

IUPAC5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide
SMILESC=Cc1c(Oc2ccc(F)c(C(N)=O)c2)c(F)cc2[nH]ccc12
InChIInChI=1S/C17H12F2N2O2/c1-2-10-11-5-6-21-15(11)8-14(19)16(10)23-9-3-4-13(18)12(7-9)17(20)22/h2-8,21H,1H2,(H2,20,22)
InChIKeyDMRRPYBAXMMXFC-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.98
Rot. Bonds4

About 5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide

5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide (PubChem CID 171077936) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide
PubChem CID171077936
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide
SMILESC=Cc1c(Oc2ccc(F)c(C(N)=O)c2)c(F)cc2[nH]ccc12
InChIInChI=1S/C17H12F2N2O2/c1-2-10-11-5-6-21-15(11)8-14(19)16(10)23-9-3-4-13(18)12(7-9)17(20)22/h2-8,21H,1H2,(H2,20,22)
InChIKeyDMRRPYBAXMMXFC-UHFFFAOYSA-N
XLogP3.98
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide?
The IUPAC name of 5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide (CID 171077936) is 5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide.
What is the SMILES notation for 5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide?
The canonical SMILES for 5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide is C=Cc1c(Oc2ccc(F)c(C(N)=O)c2)c(F)cc2[nH]ccc12.
What is the InChIKey of 5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide?
The InChIKey is DMRRPYBAXMMXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-2-10-11-5-6-21-15(11)8-14(19)16(10)23-9-3-4-13(18)12(7-9)17(20)22/h2-8,21H,1H2,(H2,20,22).
What are the key properties of 5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide?
5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide has a molecular weight of 314.29 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide is sourced from PubChem (CID 171077936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).