N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide

C21H16Cl2F3N3O3 — CID 46943728

IUPACN-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(OCC(F)(F)F)cnc2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H16Cl2F3N3O3/c1-31-14-5-2-12(3-6-14)8-17(30)28-20-19(15-7-4-13(22)9-16(15)23)27-10-18(29-20)32-11-21(24,25)26/h2-7,9-10H,8,11H2,1H3,(H,28,29,30)
InChIKeyNQFZSYZINFZJIN-UHFFFAOYSA-N
MW486.28 g/mol
LogP5.58
Rot. Bonds7

About N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide

N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 46943728) has the molecular formula C21H16Cl2F3N3O3 and a molecular weight of 486.28 g/mol. Its IUPAC name is N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID46943728
Molecular FormulaC21H16Cl2F3N3O3
Molecular Weight486.28 g/mol
Exact Mass485.05
IUPAC NameN-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(OCC(F)(F)F)cnc2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H16Cl2F3N3O3/c1-31-14-5-2-12(3-6-14)8-17(30)28-20-19(15-7-4-13(22)9-16(15)23)27-10-18(29-20)32-11-21(24,25)26/h2-7,9-10H,8,11H2,1H3,(H,28,29,30)
InChIKeyNQFZSYZINFZJIN-UHFFFAOYSA-N
XLogP5.58
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.28
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide
CID 164611162
N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]benzamide
CID 54579006
N-[8-[(2,4-dichlorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 46942534
2-(4-methoxyphenyl)-N-[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]acetamide
CID 49791234
1-[3-[(4-Chlorophenyl)methoxy]-2-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 145985631
2-(4-methoxyphenyl)-N-[6-methoxy-3-[(Z)-2-phenylethenyl]pyrazin-2-yl]acetamide
CID 172436957
N-[3-(2-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]cyclopropanecarboxamide
CID 172437040
N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-3-methylbutanamide
CID 172438742
N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]furan-2-carboxamide
CID 129316245
1-[3-[(2-Chlorophenyl)methoxy]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 72544950
2-(4-methoxyphenyl)-N-[3-phenyl-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]acetamide
CID 132454025
N-[3-(2-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-methylpropanamide
CID 132455752

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide (CID 46943728) is N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nc(OCC(F)(F)F)cnc2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is NQFZSYZINFZJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2F3N3O3/c1-31-14-5-2-12(3-6-14)8-17(30)28-20-19(15-7-4-13(22)9-16(15)23)27-10-18(29-20)32-11-21(24,25)26/h2-7,9-10H,8,11H2,1H3,(H,28,29,30).
What are the key properties of N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide?
N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 486.28 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 46943728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).