2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide

C12H10Cl2F2N4O3 — CID 14853675

IUPAC2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide
SMILESCn1c(C(F)F)nn(-c2cc(OCC(N)=O)c(Cl)cc2Cl)c1=O
InChIInChI=1S/C12H10Cl2F2N4O3/c1-19-11(10(15)16)18-20(12(19)22)7-3-8(23-4-9(17)21)6(14)2-5(7)13/h2-3,10H,4H2,1H3,(H2,17,21)
InChIKeyVHFCPDWLNLGMRE-UHFFFAOYSA-N
MW367.14 g/mol
LogP1.68
Rot. Bonds5

About 2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide

2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide (PubChem CID 14853675) has the molecular formula C12H10Cl2F2N4O3 and a molecular weight of 367.14 g/mol. Its IUPAC name is 2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide
PubChem CID14853675
Molecular FormulaC12H10Cl2F2N4O3
Molecular Weight367.14 g/mol
Exact Mass366.01
IUPAC Name2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide
SMILESCn1c(C(F)F)nn(-c2cc(OCC(N)=O)c(Cl)cc2Cl)c1=O
InChIInChI=1S/C12H10Cl2F2N4O3/c1-19-11(10(15)16)18-20(12(19)22)7-3-8(23-4-9(17)21)6(14)2-5(7)13/h2-3,10H,4H2,1H3,(H2,17,21)
InChIKeyVHFCPDWLNLGMRE-UHFFFAOYSA-N
XLogP1.68
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.14
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide?
The IUPAC name of 2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide (CID 14853675) is 2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide is Cn1c(C(F)F)nn(-c2cc(OCC(N)=O)c(Cl)cc2Cl)c1=O.
What is the InChIKey of 2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide?
The InChIKey is VHFCPDWLNLGMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2F2N4O3/c1-19-11(10(15)16)18-20(12(19)22)7-3-8(23-4-9(17)21)6(14)2-5(7)13/h2-3,10H,4H2,1H3,(H2,17,21).
What are the key properties of 2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide?
2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide has a molecular weight of 367.14 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-5-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]phenoxy]acetamide is sourced from PubChem (CID 14853675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).