2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide

C20H16F4N2O2 — CID 56847813

IUPAC2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCOc1nc2ccccc2c(C(F)(F)F)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H16F4N2O2/c1-2-28-19-16(18(27)25-11-12-6-5-7-13(21)10-12)17(20(22,23)24)14-8-3-4-9-15(14)26-19/h3-10H,2,11H2,1H3,(H,25,27)
InChIKeyYUELHHGXXDACTH-UHFFFAOYSA-N
MW392.35 g/mol
LogP4.72
Rot. Bonds5

About 2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide

2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 56847813) has the molecular formula C20H16F4N2O2 and a molecular weight of 392.35 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID56847813
Molecular FormulaC20H16F4N2O2
Molecular Weight392.35 g/mol
Exact Mass392.11
IUPAC Name2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCOc1nc2ccccc2c(C(F)(F)F)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H16F4N2O2/c1-2-28-19-16(18(27)25-11-12-6-5-7-13(21)10-12)17(20(22,23)24)14-8-3-4-9-15(14)26-19/h3-10H,2,11H2,1H3,(H,25,27)
InChIKeyYUELHHGXXDACTH-UHFFFAOYSA-N
XLogP4.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide (CID 56847813) is 2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide is CCOc1nc2ccccc2c(C(F)(F)F)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is YUELHHGXXDACTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O2/c1-2-28-19-16(18(27)25-11-12-6-5-7-13(21)10-12)17(20(22,23)24)14-8-3-4-9-15(14)26-19/h3-10H,2,11H2,1H3,(H,25,27).
What are the key properties of 2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 392.35 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3-fluorophenyl)methyl]-4-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 56847813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).