N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide

C12H12F2N4O2 — CID 1482364

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C12H12F2N4O2/c13-12(14)20-10-3-1-2-9(4-10)5-16-11(19)6-18-8-15-7-17-18/h1-4,7-8,12H,5-6H2,(H,16,19)
InChIKeyYWQNSORIOMAUKF-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.20
Rot. Bonds6

About N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 1482364) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID1482364
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C12H12F2N4O2/c13-12(14)20-10-3-1-2-9(4-10)5-16-11(19)6-18-8-15-7-17-18/h1-4,7-8,12H,5-6H2,(H,16,19)
InChIKeyYWQNSORIOMAUKF-UHFFFAOYSA-N
XLogP1.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 1482364) is N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NCc1cccc(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is YWQNSORIOMAUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c13-12(14)20-10-3-1-2-9(4-10)5-16-11(19)6-18-8-15-7-17-18/h1-4,7-8,12H,5-6H2,(H,16,19).
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 282.25 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 1482364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).