2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide

C24H17ClF3N3O3 — CID 15070166

IUPAC2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H17ClF3N3O3/c1-14(23(32)30-17-5-2-15(3-6-17)24(26,27)28)33-18-7-9-19(10-8-18)34-22-13-29-21-12-16(25)4-11-20(21)31-22/h2-14H,1H3,(H,30,32)
InChIKeyWUCYHHSWGKRLAB-UHFFFAOYSA-N
MW487.87 g/mol
LogP6.50
Rot. Bonds6

About 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide

2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 15070166) has the molecular formula C24H17ClF3N3O3 and a molecular weight of 487.87 g/mol. Its IUPAC name is 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID15070166
Molecular FormulaC24H17ClF3N3O3
Molecular Weight487.87 g/mol
Exact Mass487.09
IUPAC Name2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H17ClF3N3O3/c1-14(23(32)30-17-5-2-15(3-6-17)24(26,27)28)33-18-7-9-19(10-8-18)34-22-13-29-21-12-16(25)4-11-20(21)31-22/h2-14H,1H3,(H,30,32)
InChIKeyWUCYHHSWGKRLAB-UHFFFAOYSA-N
XLogP6.50
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.87
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 7467575
2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride
CID 86740146
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
CID 68697669
N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide
CID 141423396
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide
CID 141423359
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 141423376
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
2-(prop-1-enylamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 91372945
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
CID 70470458

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 15070166) is 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide is CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WUCYHHSWGKRLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N3O3/c1-14(23(32)30-17-5-2-15(3-6-17)24(26,27)28)33-18-7-9-19(10-8-18)34-22-13-29-21-12-16(25)4-11-20(21)31-22/h2-14H,1H3,(H,30,32).
What are the key properties of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide?
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 487.87 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 15070166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).