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

C16H12ClFN4O2 — CID 18170239

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C16H12ClFN4O2/c17-11-1-6-15(22-10-19-9-20-22)14(7-11)21-16(23)8-24-13-4-2-12(18)3-5-13/h1-7,9-10H,8H2,(H,21,23)
InChIKeyMPQFHALOGYIDRU-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.08
Rot. Bonds5

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

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 18170239) has the molecular formula C16H12ClFN4O2 and a molecular weight of 346.75 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
PubChem CID18170239
Molecular FormulaC16H12ClFN4O2
Molecular Weight346.75 g/mol
Exact Mass346.06
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C16H12ClFN4O2/c17-11-1-6-15(22-10-19-9-20-22)14(7-11)21-16(23)8-24-13-4-2-12(18)3-5-13/h1-7,9-10H,8H2,(H,21,23)
InChIKeyMPQFHALOGYIDRU-UHFFFAOYSA-N
XLogP3.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide (CID 18170239) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is MPQFHALOGYIDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2/c17-11-1-6-15(22-10-19-9-20-22)14(7-11)21-16(23)8-24-13-4-2-12(18)3-5-13/h1-7,9-10H,8H2,(H,21,23).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 346.75 g/mol, XLogP of 3.08, 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)acetamide is sourced from PubChem (CID 18170239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).