N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide

C16H19FN4O — CID 75455568

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide
SMILESCn1c(CNC(=O)Cc2cccc(F)c2)nnc1C1CCC1
InChIInChI=1S/C16H19FN4O/c1-21-14(19-20-16(21)12-5-3-6-12)10-18-15(22)9-11-4-2-7-13(17)8-11/h2,4,7-8,12H,3,5-6,9-10H2,1H3,(H,18,22)
InChIKeyHLHFMTLTXZWGAK-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.08
Rot. Bonds5

About N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide (PubChem CID 75455568) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide
PubChem CID75455568
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide
SMILESCn1c(CNC(=O)Cc2cccc(F)c2)nnc1C1CCC1
InChIInChI=1S/C16H19FN4O/c1-21-14(19-20-16(21)12-5-3-6-12)10-18-15(22)9-11-4-2-7-13(17)8-11/h2,4,7-8,12H,3,5-6,9-10H2,1H3,(H,18,22)
InChIKeyHLHFMTLTXZWGAK-UHFFFAOYSA-N
XLogP2.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide (CID 75455568) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide is Cn1c(CNC(=O)Cc2cccc(F)c2)nnc1C1CCC1.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is HLHFMTLTXZWGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-21-14(19-20-16(21)12-5-3-6-12)10-18-15(22)9-11-4-2-7-13(17)8-11/h2,4,7-8,12H,3,5-6,9-10H2,1H3,(H,18,22).
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 302.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 75455568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).