N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide

C20H18F2N4O3 — CID 25162630

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C20H18F2N4O3/c1-2-25(11-17(27)24-20-13(21)6-5-7-14(20)22)19(29)12-26-16-9-4-3-8-15(16)23-10-18(26)28/h3-10H,2,11-12H2,1H3,(H,24,27)
InChIKeyVUHGAHLVROWYID-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 25162630) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID25162630
Molecular FormulaC20H18F2N4O3
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C20H18F2N4O3/c1-2-25(11-17(27)24-20-13(21)6-5-7-14(20)22)19(29)12-26-16-9-4-3-8-15(16)23-10-18(26)28/h3-10H,2,11-12H2,1H3,(H,24,27)
InChIKeyVUHGAHLVROWYID-UHFFFAOYSA-N
XLogP2.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide (CID 25162630) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is VUHGAHLVROWYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-2-25(11-17(27)24-20-13(21)6-5-7-14(20)22)19(29)12-26-16-9-4-3-8-15(16)23-10-18(26)28/h3-10H,2,11-12H2,1H3,(H,24,27).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 400.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 25162630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).