N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide

C11H8FN5O — CID 113234244

IUPACN-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESN#Cc1c(F)cccc1NC(=O)Cn1cncn1
InChIInChI=1S/C11H8FN5O/c12-9-2-1-3-10(8(9)4-13)16-11(18)5-17-7-14-6-15-17/h1-3,6-7H,5H2,(H,16,18)
InChIKeyPDEITNCPAVSTLN-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.93
Rot. Bonds3

About N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 113234244) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID113234244
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC NameN-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESN#Cc1c(F)cccc1NC(=O)Cn1cncn1
InChIInChI=1S/C11H8FN5O/c12-9-2-1-3-10(8(9)4-13)16-11(18)5-17-7-14-6-15-17/h1-3,6-7H,5H2,(H,16,18)
InChIKeyPDEITNCPAVSTLN-UHFFFAOYSA-N
XLogP0.93
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580715
N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103479652
N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103747510
2-[2-(2-cyano-3-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2814775
N-(5-acetamido-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 146122005
N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide
CID 63611856
N-(2-cyano-3-fluorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740497
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61129965

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 113234244) is N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide is N#Cc1c(F)cccc1NC(=O)Cn1cncn1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is PDEITNCPAVSTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c12-9-2-1-3-10(8(9)4-13)16-11(18)5-17-7-14-6-15-17/h1-3,6-7H,5H2,(H,16,18).
What are the key properties of N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 245.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 113234244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).