N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide

C24H16BrF3N2O3 — CID 2594639

IUPACN-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C24H16BrF3N2O3/c25-17-7-9-18(10-8-17)33-20-11-6-16(24(26,27)28)13-19(20)30-22(31)14-32-21-5-1-3-15-4-2-12-29-23(15)21/h1-13H,14H2,(H,30,31)
InChIKeyFIPONBVZZVUPGL-UHFFFAOYSA-N
MW517.30 g/mol
LogP6.83
Rot. Bonds6

About N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide

N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide (PubChem CID 2594639) has the molecular formula C24H16BrF3N2O3 and a molecular weight of 517.30 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
PubChem CID2594639
Molecular FormulaC24H16BrF3N2O3
Molecular Weight517.30 g/mol
Exact Mass516.03
IUPAC NameN-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C24H16BrF3N2O3/c25-17-7-9-18(10-8-17)33-20-11-6-16(24(26,27)28)13-19(20)30-22(31)14-32-21-5-1-3-15-4-2-12-29-23(15)21/h1-13H,14H2,(H,30,31)
InChIKeyFIPONBVZZVUPGL-UHFFFAOYSA-N
XLogP6.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.30
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
CID 2461519
N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 56585798
N-(2-tert-butylphenyl)-2-quinolin-8-yloxyacetamide
CID 31050049
2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535216
N-(2-ethylphenyl)-2-quinolin-8-yloxyacetamide
CID 40655687
N-(2,3-dimethylphenyl)-2-quinolin-8-yloxyacetamide
CID 94221258
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
N-(3-chloro-2-methylphenyl)-2-quinolin-8-yloxyacetamide
CID 99839855
8-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 18372533
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956077

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide (CID 2594639) is N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide is O=C(COc1cccc2cccnc12)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide?
The InChIKey is FIPONBVZZVUPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrF3N2O3/c25-17-7-9-18(10-8-17)33-20-11-6-16(24(26,27)28)13-19(20)30-22(31)14-32-21-5-1-3-15-4-2-12-29-23(15)21/h1-13H,14H2,(H,30,31).
What are the key properties of N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide?
N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide has a molecular weight of 517.30 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 2594639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).