2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide

C19H19F3N4O3 — CID 90541483

IUPAC2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C19H19F3N4O3/c1-3-29-14-9-8-12-6-4-5-7-13(12)15(14)16(27)23-10-11-26-18(28)25(2)17(24-26)19(20,21)22/h4-9H,3,10-11H2,1-2H3,(H,23,27)
InChIKeyRUOMTGDOWZXMKG-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.58
Rot. Bonds6

About 2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide

2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 90541483) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide
PubChem CID90541483
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C19H19F3N4O3/c1-3-29-14-9-8-12-6-4-5-7-13(12)15(14)16(27)23-10-11-26-18(28)25(2)17(24-26)19(20,21)22/h4-9H,3,10-11H2,1-2H3,(H,23,27)
InChIKeyRUOMTGDOWZXMKG-UHFFFAOYSA-N
XLogP2.58
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide (CID 90541483) is 2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCCn1nc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide?
The InChIKey is RUOMTGDOWZXMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-3-29-14-9-8-12-6-4-5-7-13(12)15(14)16(27)23-10-11-26-18(28)25(2)17(24-26)19(20,21)22/h4-9H,3,10-11H2,1-2H3,(H,23,27).
What are the key properties of 2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide?
2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 90541483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).