2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide

C13H15FN4O3 — CID 83092151

IUPAC2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide
SMILESCOc1n[nH]c(NC(=O)C(C)(C)Oc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4O3/c1-13(2,21-9-6-4-8(14)5-7-9)10(19)15-11-16-12(20-3)18-17-11/h4-7H,1-3H3,(H2,15,16,17,18,19)
InChIKeyCJUKJDUDHUZJEL-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.75
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide

2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide (PubChem CID 83092151) has the molecular formula C13H15FN4O3 and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide
PubChem CID83092151
Molecular FormulaC13H15FN4O3
Molecular Weight294.29 g/mol
Exact Mass294.11
IUPAC Name2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide
SMILESCOc1n[nH]c(NC(=O)C(C)(C)Oc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4O3/c1-13(2,21-9-6-4-8(14)5-7-9)10(19)15-11-16-12(20-3)18-17-11/h4-7H,1-3H3,(H2,15,16,17,18,19)
InChIKeyCJUKJDUDHUZJEL-UHFFFAOYSA-N
XLogP1.75
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide (CID 83092151) is 2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide is COc1n[nH]c(NC(=O)C(C)(C)Oc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide?
The InChIKey is CJUKJDUDHUZJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O3/c1-13(2,21-9-6-4-8(14)5-7-9)10(19)15-11-16-12(20-3)18-17-11/h4-7H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide?
2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide has a molecular weight of 294.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 83092151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).