N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide

C21H20Cl2N4O3 — CID 31185170

IUPACN-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C21H20Cl2N4O3/c1-2-9-26(12-19(28)25-16-8-7-14(22)10-15(16)23)21(30)13-27-18-6-4-3-5-17(18)24-11-20(27)29/h3-8,10-11H,2,9,12-13H2,1H3,(H,25,28)
InChIKeyZHNWTNJHQFKDIA-UHFFFAOYSA-N
MW447.32 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide (PubChem CID 31185170) has the molecular formula C21H20Cl2N4O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide
PubChem CID31185170
Molecular FormulaC21H20Cl2N4O3
Molecular Weight447.32 g/mol
Exact Mass446.09
IUPAC NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C21H20Cl2N4O3/c1-2-9-26(12-19(28)25-16-8-7-14(22)10-15(16)23)21(30)13-27-18-6-4-3-5-17(18)24-11-20(27)29/h3-8,10-11H,2,9,12-13H2,1H3,(H,25,28)
InChIKeyZHNWTNJHQFKDIA-UHFFFAOYSA-N
XLogP3.58
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide
CID 24686704
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide
CID 55755026
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
CID 31185431
N-(2,4-dichlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-propylamino]acetamide
CID 55369827
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
2-(cyclopropylmethylamino)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylacetamide
CID 119683191
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9321843
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-propylacetamide
CID 60602231
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 60521050

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide (CID 31185170) is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide?
The InChIKey is ZHNWTNJHQFKDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3/c1-2-9-26(12-19(28)25-16-8-7-14(22)10-15(16)23)21(30)13-27-18-6-4-3-5-17(18)24-11-20(27)29/h3-8,10-11H,2,9,12-13H2,1H3,(H,25,28).
What are the key properties of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide?
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide has a molecular weight of 447.32 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide is sourced from PubChem (CID 31185170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).