2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide

C19H16F2N4O2 — CID 71793663

IUPAC2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide
SMILESO=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H16F2N4O2/c20-13-8-9-15(21)16(10-13)22-17(26)11-24-19(27)25(14-4-2-1-3-5-14)18(23-24)12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,22,26)
InChIKeyYPERSBIKYUIJCA-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.83
Rot. Bonds5

About 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide

2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide (PubChem CID 71793663) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide
PubChem CID71793663
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide
SMILESO=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H16F2N4O2/c20-13-8-9-15(21)16(10-13)22-17(26)11-24-19(27)25(14-4-2-1-3-5-14)18(23-24)12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,22,26)
InChIKeyYPERSBIKYUIJCA-UHFFFAOYSA-N
XLogP2.83
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide (CID 71793663) is 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide is O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide?
The InChIKey is YPERSBIKYUIJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-13-8-9-15(21)16(10-13)22-17(26)11-24-19(27)25(14-4-2-1-3-5-14)18(23-24)12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,22,26).
What are the key properties of 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide?
2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide has a molecular weight of 370.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 71793663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).