N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide

C20H18FN5O2 — CID 86207294

IUPACN-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESO=C(COc1ccccc1-n1cnnc1)NCCn1ccc2ccc(F)cc21
InChIInChI=1S/C20H18FN5O2/c21-16-6-5-15-7-9-25(18(15)11-16)10-8-22-20(27)12-28-19-4-2-1-3-17(19)26-13-23-24-14-26/h1-7,9,11,13-14H,8,10,12H2,(H,22,27)
InChIKeyUOVMQEYZVNKTTK-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.56
Rot. Bonds7

About N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide

N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide (PubChem CID 86207294) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
PubChem CID86207294
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC NameN-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESO=C(COc1ccccc1-n1cnnc1)NCCn1ccc2ccc(F)cc21
InChIInChI=1S/C20H18FN5O2/c21-16-6-5-15-7-9-25(18(15)11-16)10-8-22-20(27)12-28-19-4-2-1-3-17(19)26-13-23-24-14-26/h1-7,9,11,13-14H,8,10,12H2,(H,22,27)
InChIKeyUOVMQEYZVNKTTK-UHFFFAOYSA-N
XLogP2.56
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 71708934
N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 108726437
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 71704706
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
CID 63505809
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide
CID 86206946
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide
CID 71703907
4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide
CID 52715106
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
N-[2-(6-fluoroindol-1-yl)ethyl]-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124906565

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide (CID 86207294) is N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide is O=C(COc1ccccc1-n1cnnc1)NCCn1ccc2ccc(F)cc21.
What is the InChIKey of N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The InChIKey is UOVMQEYZVNKTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-16-6-5-15-7-9-25(18(15)11-16)10-8-22-20(27)12-28-19-4-2-1-3-17(19)26-13-23-24-14-26/h1-7,9,11,13-14H,8,10,12H2,(H,22,27).
What are the key properties of N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide has a molecular weight of 379.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 86207294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).