2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide

C10H4Cl2F4N4O2 — CID 25184777

IUPAC2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide
SMILESO=C(Nc1ccc(-c2noc(C(F)(F)Cl)n2)nc1)C(F)(F)Cl
InChIInChI=1S/C10H4Cl2F4N4O2/c11-9(13,14)7(21)18-4-1-2-5(17-3-4)6-19-8(22-20-6)10(12,15)16/h1-3H,(H,18,21)
InChIKeyUWKUWDRBRQWXNZ-UHFFFAOYSA-N
MW359.07 g/mol
LogP3.19
Rot. Bonds4

About 2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide

2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide (PubChem CID 25184777) has the molecular formula C10H4Cl2F4N4O2 and a molecular weight of 359.07 g/mol. Its IUPAC name is 2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide
PubChem CID25184777
Molecular FormulaC10H4Cl2F4N4O2
Molecular Weight359.07 g/mol
Exact Mass357.96
IUPAC Name2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide
SMILESO=C(Nc1ccc(-c2noc(C(F)(F)Cl)n2)nc1)C(F)(F)Cl
InChIInChI=1S/C10H4Cl2F4N4O2/c11-9(13,14)7(21)18-4-1-2-5(17-3-4)6-19-8(22-20-6)10(12,15)16/h1-3H,(H,18,21)
InChIKeyUWKUWDRBRQWXNZ-UHFFFAOYSA-N
XLogP3.19
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.07
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide?
The IUPAC name of 2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide (CID 25184777) is 2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide.
What is the SMILES notation for 2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide?
The canonical SMILES for 2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide is O=C(Nc1ccc(-c2noc(C(F)(F)Cl)n2)nc1)C(F)(F)Cl.
What is the InChIKey of 2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide?
The InChIKey is UWKUWDRBRQWXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F4N4O2/c11-9(13,14)7(21)18-4-1-2-5(17-3-4)6-19-8(22-20-6)10(12,15)16/h1-3H,(H,18,21).
What are the key properties of 2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide?
2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide has a molecular weight of 359.07 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide is sourced from PubChem (CID 25184777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).