N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C21H21FN4O3 — CID 9321843

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C21H21FN4O3/c1-2-25(13-19(27)24-11-15-7-9-16(22)10-8-15)21(29)14-26-18-6-4-3-5-17(18)23-12-20(26)28/h3-10,12H,2,11,13-14H2,1H3,(H,24,27)
InChIKeyYFZGYYPRCHWWBK-UHFFFAOYSA-N
MW396.42 g/mol
LogP1.70
Rot. Bonds7

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 9321843) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID9321843
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C21H21FN4O3/c1-2-25(13-19(27)24-11-15-7-9-16(22)10-8-15)21(29)14-26-18-6-4-3-5-17(18)23-12-20(26)28/h3-10,12H,2,11,13-14H2,1H3,(H,24,27)
InChIKeyYFZGYYPRCHWWBK-UHFFFAOYSA-N
XLogP1.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 27332914
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 31977722
N,N-dimethyl-4-[[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]methyl]benzamide
CID 134039211
2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
CID 31362779
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide
CID 24686704
2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9323614
2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55437782
N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 72844302
3-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 8960643
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
2-[ethyl-[2-(4-iodophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55326117
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 9321843) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is YFZGYYPRCHWWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-2-25(13-19(27)24-11-15-7-9-16(22)10-8-15)21(29)14-26-18-6-4-3-5-17(18)23-12-20(26)28/h3-10,12H,2,11,13-14H2,1H3,(H,24,27).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 396.42 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 9321843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).