2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide

C16H17F3N4O — CID 167785519

IUPAC2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide
SMILESCc1nc(NC(=O)CC2CC(F)(F)C2)n(-c2ccc(F)cc2C)n1
InChIInChI=1S/C16H17F3N4O/c1-9-5-12(17)3-4-13(9)23-15(20-10(2)22-23)21-14(24)6-11-7-16(18,19)8-11/h3-5,11H,6-8H2,1-2H3,(H,20,21,22,24)
InChIKeyHDKMFYJGYCUVEU-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.40
Rot. Bonds4

About 2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide

2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 167785519) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide
PubChem CID167785519
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide
SMILESCc1nc(NC(=O)CC2CC(F)(F)C2)n(-c2ccc(F)cc2C)n1
InChIInChI=1S/C16H17F3N4O/c1-9-5-12(17)3-4-13(9)23-15(20-10(2)22-23)21-14(24)6-11-7-16(18,19)8-11/h3-5,11H,6-8H2,1-2H3,(H,20,21,22,24)
InChIKeyHDKMFYJGYCUVEU-UHFFFAOYSA-N
XLogP3.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide (CID 167785519) is 2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide is Cc1nc(NC(=O)CC2CC(F)(F)C2)n(-c2ccc(F)cc2C)n1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is HDKMFYJGYCUVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-9-5-12(17)3-4-13(9)23-15(20-10(2)22-23)21-14(24)6-11-7-16(18,19)8-11/h3-5,11H,6-8H2,1-2H3,(H,20,21,22,24).
What are the key properties of 2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide?
2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 338.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 167785519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).