2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide

C21H16F6N2O2 — CID 155925506

IUPAC2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C21H16F6N2O2/c1-11-6-12(2)8-13(7-11)28-18(30)10-31-16-9-17(21(25,26)27)29-19-14(16)4-3-5-15(19)20(22,23)24/h3-9H,10H2,1-2H3,(H,28,30)
InChIKeyYKUIWYUPQAVVFI-UHFFFAOYSA-N
MW442.36 g/mol
LogP5.91
Rot. Bonds4

About 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide

2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide (PubChem CID 155925506) has the molecular formula C21H16F6N2O2 and a molecular weight of 442.36 g/mol. Its IUPAC name is 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide
PubChem CID155925506
Molecular FormulaC21H16F6N2O2
Molecular Weight442.36 g/mol
Exact Mass442.11
IUPAC Name2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C21H16F6N2O2/c1-11-6-12(2)8-13(7-11)28-18(30)10-31-16-9-17(21(25,26)27)29-19-14(16)4-3-5-15(19)20(22,23)24/h3-9H,10H2,1-2H3,(H,28,30)
InChIKeyYKUIWYUPQAVVFI-UHFFFAOYSA-N
XLogP5.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.36
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide (CID 155925506) is 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)c1.
What is the InChIKey of 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is YKUIWYUPQAVVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N2O2/c1-11-6-12(2)8-13(7-11)28-18(30)10-31-16-9-17(21(25,26)27)29-19-14(16)4-3-5-15(19)20(22,23)24/h3-9H,10H2,1-2H3,(H,28,30).
What are the key properties of 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide?
2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 442.36 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 155925506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).