2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C13H15FN4O2 — CID 64512620

IUPAC2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C13H15FN4O2/c1-9(20-11-5-3-10(14)4-6-11)13(19)18(2)7-12-15-8-16-17-12/h3-6,8-9H,7H2,1-2H3,(H,15,16,17)
InChIKeyNCEACOYJDHUQIN-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.37
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64512620) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64512620
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C13H15FN4O2/c1-9(20-11-5-3-10(14)4-6-11)13(19)18(2)7-12-15-8-16-17-12/h3-6,8-9H,7H2,1-2H3,(H,15,16,17)
InChIKeyNCEACOYJDHUQIN-UHFFFAOYSA-N
XLogP1.37
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64512620) is 2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CC(Oc1ccc(F)cc1)C(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is NCEACOYJDHUQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-9(20-11-5-3-10(14)4-6-11)13(19)18(2)7-12-15-8-16-17-12/h3-6,8-9H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 278.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64512620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).