2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide

C18H15F3N4O2 — CID 42893203

IUPAC2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C18H15F3N4O2/c1-12(27-14-5-3-2-4-6-14)17(26)24-15-9-13(18(19,20)21)7-8-16(15)25-11-22-10-23-25/h2-12H,1H3,(H,24,26)
InChIKeyFROVSXMDWDNZLY-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.69
Rot. Bonds5

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

2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 42893203) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
PubChem CID42893203
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C18H15F3N4O2/c1-12(27-14-5-3-2-4-6-14)17(26)24-15-9-13(18(19,20)21)7-8-16(15)25-11-22-10-23-25/h2-12H,1H3,(H,24,26)
InChIKeyFROVSXMDWDNZLY-UHFFFAOYSA-N
XLogP3.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide (CID 42893203) is 2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide is CC(Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1.
What is the InChIKey of 2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FROVSXMDWDNZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-12(27-14-5-3-2-4-6-14)17(26)24-15-9-13(18(19,20)21)7-8-16(15)25-11-22-10-23-25/h2-12H,1H3,(H,24,26).
What are the key properties of 2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide?
2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 376.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42893203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).