2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide

C14H16F2N4O2 — CID 167823606

IUPAC2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESCOC(C(=O)Nc1ncnn1C(C)C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N4O2/c1-8(2)20-14(17-7-18-20)19-13(21)12(22-3)9-4-10(15)6-11(16)5-9/h4-8,12H,1-3H3,(H,17,18,19,21)
InChIKeyHLDCGFVPFPDKLB-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.46
Rot. Bonds5

About 2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide

2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 167823606) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID167823606
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESCOC(C(=O)Nc1ncnn1C(C)C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N4O2/c1-8(2)20-14(17-7-18-20)19-13(21)12(22-3)9-4-10(15)6-11(16)5-9/h4-8,12H,1-3H3,(H,17,18,19,21)
InChIKeyHLDCGFVPFPDKLB-UHFFFAOYSA-N
XLogP2.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide (CID 167823606) is 2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide is COC(C(=O)Nc1ncnn1C(C)C)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is HLDCGFVPFPDKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-8(2)20-14(17-7-18-20)19-13(21)12(22-3)9-4-10(15)6-11(16)5-9/h4-8,12H,1-3H3,(H,17,18,19,21).
What are the key properties of 2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 310.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 167823606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).