N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide

C17H14ClFN4O2 — CID 18084506

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C17H14ClFN4O2/c1-11(25-14-5-3-13(19)4-6-14)17(24)22-15-8-12(18)2-7-16(15)23-10-20-9-21-23/h2-11H,1H3,(H,22,24)
InChIKeyGWUYOBNQLGIQOR-UHFFFAOYSA-N
MW360.78 g/mol
LogP3.47
Rot. Bonds5

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 18084506) has the molecular formula C17H14ClFN4O2 and a molecular weight of 360.78 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide
PubChem CID18084506
Molecular FormulaC17H14ClFN4O2
Molecular Weight360.78 g/mol
Exact Mass360.08
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C17H14ClFN4O2/c1-11(25-14-5-3-13(19)4-6-14)17(24)22-15-8-12(18)2-7-16(15)23-10-20-9-21-23/h2-11H,1H3,(H,22,24)
InChIKeyGWUYOBNQLGIQOR-UHFFFAOYSA-N
XLogP3.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide 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-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide (CID 18084506) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide is CC(Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is GWUYOBNQLGIQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2/c1-11(25-14-5-3-13(19)4-6-14)17(24)22-15-8-12(18)2-7-16(15)23-10-20-9-21-23/h2-11H,1H3,(H,22,24).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 360.78 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 18084506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).