N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C20H18F3N3O4 — CID 16549697

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C20H18F3N3O4/c1-29-8-9-30-17-7-6-13(20(21,22)23)10-15(17)25-18(27)12-26-16-5-3-2-4-14(16)24-11-19(26)28/h2-7,10-11H,8-9,12H2,1H3,(H,25,27)
InChIKeyCHJQYWKHLPDZLJ-UHFFFAOYSA-N
MW421.38 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 16549697) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID16549697
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C20H18F3N3O4/c1-29-8-9-30-17-7-6-13(20(21,22)23)10-15(17)25-18(27)12-26-16-5-3-2-4-14(16)24-11-19(26)28/h2-7,10-11H,8-9,12H2,1H3,(H,25,27)
InChIKeyCHJQYWKHLPDZLJ-UHFFFAOYSA-N
XLogP3.08
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 52847984
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 4831951
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34281761
(E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 26177460
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 26177558
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480
N-[(2R)-1-methoxypropan-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2509253
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide
CID 16549700
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
CID 26177646

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 16549697) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is CHJQYWKHLPDZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c1-29-8-9-30-17-7-6-13(20(21,22)23)10-15(17)25-18(27)12-26-16-5-3-2-4-14(16)24-11-19(26)28/h2-7,10-11H,8-9,12H2,1H3,(H,25,27).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 421.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 16549697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).