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

C12H12F2N4O2 — CID 47138860

IUPACN-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccccc1OC(F)F
InChIInChI=1S/C12H12F2N4O2/c13-12(14)20-10-4-2-1-3-9(10)17-11(19)5-6-18-8-15-7-16-18/h1-4,7-8,12H,5-6H2,(H,17,19)
InChIKeyNJNHFWAFIYKLIN-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.91
Rot. Bonds6

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

N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 47138860) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID47138860
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccccc1OC(F)F
InChIInChI=1S/C12H12F2N4O2/c13-12(14)20-10-4-2-1-3-9(10)17-11(19)5-6-18-8-15-7-16-18/h1-4,7-8,12H,5-6H2,(H,17,19)
InChIKeyNJNHFWAFIYKLIN-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 47138860) is N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is NJNHFWAFIYKLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c13-12(14)20-10-4-2-1-3-9(10)17-11(19)5-6-18-8-15-7-16-18/h1-4,7-8,12H,5-6H2,(H,17,19).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 282.25 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 47138860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).