2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide

C18H17FN4O2 — CID 75426671

IUPAC2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C2CC2)nn1)N(Cc1ccco1)c1cccc(F)c1
InChIInChI=1S/C18H17FN4O2/c19-14-3-1-4-15(9-14)23(10-16-5-2-8-25-16)18(24)12-22-11-17(20-21-22)13-6-7-13/h1-5,8-9,11,13H,6-7,10,12H2
InChIKeyXSLURIWSEHINNJ-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.12
Rot. Bonds6

About 2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide

2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 75426671) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID75426671
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C2CC2)nn1)N(Cc1ccco1)c1cccc(F)c1
InChIInChI=1S/C18H17FN4O2/c19-14-3-1-4-15(9-14)23(10-16-5-2-8-25-16)18(24)12-22-11-17(20-21-22)13-6-7-13/h1-5,8-9,11,13H,6-7,10,12H2
InChIKeyXSLURIWSEHINNJ-UHFFFAOYSA-N
XLogP3.12
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide (CID 75426671) is 2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide is O=C(Cn1cc(C2CC2)nn1)N(Cc1ccco1)c1cccc(F)c1.
What is the InChIKey of 2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is XSLURIWSEHINNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-14-3-1-4-15(9-14)23(10-16-5-2-8-25-16)18(24)12-22-11-17(20-21-22)13-6-7-13/h1-5,8-9,11,13H,6-7,10,12H2.
What are the key properties of 2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide?
2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 340.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 75426671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).