2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide

C18H14FN5O — CID 16673113

IUPAC2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESO=C(Cn1ccc2ccc(F)cc21)Nc1cccc(-n2cnnc2)c1
InChIInChI=1S/C18H14FN5O/c19-14-5-4-13-6-7-23(17(13)8-14)10-18(25)22-15-2-1-3-16(9-15)24-11-20-21-12-24/h1-9,11-12H,10H2,(H,22,25)
InChIKeyOSEZPFLGXWVURQ-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.00
Rot. Bonds4

About 2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide

2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide (PubChem CID 16673113) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
PubChem CID16673113
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESO=C(Cn1ccc2ccc(F)cc21)Nc1cccc(-n2cnnc2)c1
InChIInChI=1S/C18H14FN5O/c19-14-5-4-13-6-7-23(17(13)8-14)10-18(25)22-15-2-1-3-16(9-15)24-11-20-21-12-24/h1-9,11-12H,10H2,(H,22,25)
InChIKeyOSEZPFLGXWVURQ-UHFFFAOYSA-N
XLogP3.00
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide (CID 16673113) is 2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide is O=C(Cn1ccc2ccc(F)cc21)Nc1cccc(-n2cnnc2)c1.
What is the InChIKey of 2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
The InChIKey is OSEZPFLGXWVURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c19-14-5-4-13-6-7-23(17(13)8-14)10-18(25)22-15-2-1-3-16(9-15)24-11-20-21-12-24/h1-9,11-12H,10H2,(H,22,25).
What are the key properties of 2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide has a molecular weight of 335.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 16673113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).