N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide

C11H7ClFN5O — CID 46696637

IUPACN-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
SMILESN#Cc1ncn(CC(=O)Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C11H7ClFN5O/c12-7-1-2-8(13)9(3-7)16-11(19)5-18-6-15-10(4-14)17-18/h1-3,6H,5H2,(H,16,19)
InChIKeyGJESHKFBPYLZHX-UHFFFAOYSA-N
MW279.66 g/mol
LogP1.58
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide

N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide (PubChem CID 46696637) has the molecular formula C11H7ClFN5O and a molecular weight of 279.66 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
PubChem CID46696637
Molecular FormulaC11H7ClFN5O
Molecular Weight279.66 g/mol
Exact Mass279.03
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
SMILESN#Cc1ncn(CC(=O)Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C11H7ClFN5O/c12-7-1-2-8(13)9(3-7)16-11(19)5-18-6-15-10(4-14)17-18/h1-3,6H,5H2,(H,16,19)
InChIKeyGJESHKFBPYLZHX-UHFFFAOYSA-N
XLogP1.58
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide (CID 46696637) is N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide is N#Cc1ncn(CC(=O)Nc2cc(Cl)ccc2F)n1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide?
The InChIKey is GJESHKFBPYLZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5O/c12-7-1-2-8(13)9(3-7)16-11(19)5-18-6-15-10(4-14)17-18/h1-3,6H,5H2,(H,16,19).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide?
N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide has a molecular weight of 279.66 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 46696637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).