N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide

C21H21ClN4O3 — CID 24686704

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C21H21ClN4O3/c1-3-25(12-19(27)24-17-10-15(22)9-8-14(17)2)21(29)13-26-18-7-5-4-6-16(18)23-11-20(26)28/h4-11H,3,12-13H2,1-2H3,(H,24,27)
InChIKeyNPOOIRHHFZRLFR-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 24686704) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID24686704
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C21H21ClN4O3/c1-3-25(12-19(27)24-17-10-15(22)9-8-14(17)2)21(29)13-26-18-7-5-4-6-16(18)23-11-20(26)28/h4-11H,3,12-13H2,1-2H3,(H,24,27)
InChIKeyNPOOIRHHFZRLFR-UHFFFAOYSA-N
XLogP2.85
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)-N-propylacetamide
CID 31185170
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9321843
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide
CID 18112996
2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 9017928
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050657
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767924
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-oxochromene-3-carboxamide
CID 18112982
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-ethylpropanamide
CID 30137689
N-ethyl-2-(2-oxoquinoxalin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 72844302
N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8012872
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetamide
CID 8908053

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide (CID 24686704) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is NPOOIRHHFZRLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-3-25(12-19(27)24-17-10-15(22)9-8-14(17)2)21(29)13-26-18-7-5-4-6-16(18)23-11-20(26)28/h4-11H,3,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 412.88 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 24686704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).