2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide

C13H15FN4O2 — CID 71863908

IUPAC2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C13H15FN4O2/c1-3-10(20-11-7-5-4-6-9(11)14)12(19)16-13-15-8(2)17-18-13/h4-7,10H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeySLPFRLXXUBLNSR-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.05
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide

2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide (PubChem CID 71863908) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
PubChem CID71863908
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C13H15FN4O2/c1-3-10(20-11-7-5-4-6-9(11)14)12(19)16-13-15-8(2)17-18-13/h4-7,10H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeySLPFRLXXUBLNSR-UHFFFAOYSA-N
XLogP2.05
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461
(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 9181809
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)butanamide
CID 17013028
(2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 35122221
2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78928166
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide
CID 38002090

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide (CID 71863908) is 2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide is CCC(Oc1ccccc1F)C(=O)Nc1n[nH]c(C)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The InChIKey is SLPFRLXXUBLNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-3-10(20-11-7-5-4-6-9(11)14)12(19)16-13-15-8(2)17-18-13/h4-7,10H,3H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide has a molecular weight of 278.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide is sourced from PubChem (CID 71863908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).