3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide

C15H11F3N2O2 — CID 54359389

IUPAC3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide
SMILESCNC(=O)c1c(OCC(F)(F)F)c(C#N)cc2ccccc12
InChIInChI=1S/C15H11F3N2O2/c1-20-14(21)12-11-5-3-2-4-9(11)6-10(7-19)13(12)22-8-15(16,17)18/h2-6H,8H2,1H3,(H,20,21)
InChIKeyULKSNVLBWMNTEK-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.01
Rot. Bonds3

About 3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide

3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide (PubChem CID 54359389) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide
PubChem CID54359389
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide
SMILESCNC(=O)c1c(OCC(F)(F)F)c(C#N)cc2ccccc12
InChIInChI=1S/C15H11F3N2O2/c1-20-14(21)12-11-5-3-2-4-9(11)6-10(7-19)13(12)22-8-15(16,17)18/h2-6H,8H2,1H3,(H,20,21)
InChIKeyULKSNVLBWMNTEK-UHFFFAOYSA-N
XLogP3.01
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide?
The IUPAC name of 3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide (CID 54359389) is 3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide.
What is the SMILES notation for 3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide?
The canonical SMILES for 3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide is CNC(=O)c1c(OCC(F)(F)F)c(C#N)cc2ccccc12.
What is the InChIKey of 3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide?
The InChIKey is ULKSNVLBWMNTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-20-14(21)12-11-5-3-2-4-9(11)6-10(7-19)13(12)22-8-15(16,17)18/h2-6H,8H2,1H3,(H,20,21).
What are the key properties of 3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide?
3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide has a molecular weight of 308.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide is sourced from PubChem (CID 54359389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).