N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide

C17H19FN4O — CID 166415433

IUPACN-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1cn(C2CCC2)nn1)c1cc(C)cc(F)c1
InChIInChI=1S/C17H19FN4O/c1-3-17(23)21(16-8-12(2)7-13(18)9-16)10-14-11-22(20-19-14)15-5-4-6-15/h3,7-9,11,15H,1,4-6,10H2,2H3
InChIKeyBXGZCDMPNZYRDE-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.17
Rot. Bonds5

About N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide

N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide (PubChem CID 166415433) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide
PubChem CID166415433
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1cn(C2CCC2)nn1)c1cc(C)cc(F)c1
InChIInChI=1S/C17H19FN4O/c1-3-17(23)21(16-8-12(2)7-13(18)9-16)10-14-11-22(20-19-14)15-5-4-6-15/h3,7-9,11,15H,1,4-6,10H2,2H3
InChIKeyBXGZCDMPNZYRDE-UHFFFAOYSA-N
XLogP3.17
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide?
The IUPAC name of N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide (CID 166415433) is N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide?
The canonical SMILES for N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide is C=CC(=O)N(Cc1cn(C2CCC2)nn1)c1cc(C)cc(F)c1.
What is the InChIKey of N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide?
The InChIKey is BXGZCDMPNZYRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-3-17(23)21(16-8-12(2)7-13(18)9-16)10-14-11-22(20-19-14)15-5-4-6-15/h3,7-9,11,15H,1,4-6,10H2,2H3.
What are the key properties of N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide?
N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide has a molecular weight of 314.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclobutyltriazol-4-yl)methyl]-N-(3-fluoro-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 166415433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).