N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide

C20H23Cl2N3O2 — CID 9339279

IUPACN-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2Cl)c(C)c1
InChIInChI=1S/C20H23Cl2N3O2/c1-12-8-13(2)20(14(3)9-12)24-18(27)11-25(4)10-17(26)23-16-7-5-6-15(21)19(16)22/h5-9H,10-11H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyCODIYJAVPFIYJK-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.43
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide

N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide (PubChem CID 9339279) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
PubChem CID9339279
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC NameN-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2Cl)c(C)c1
InChIInChI=1S/C20H23Cl2N3O2/c1-12-8-13(2)20(14(3)9-12)24-18(27)11-25(4)10-17(26)23-16-7-5-6-15(21)19(16)22/h5-9H,10-11H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyCODIYJAVPFIYJK-UHFFFAOYSA-N
XLogP4.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 42069816
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
methyl 2-[[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]amino]benzoate
CID 9339387
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8622710
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 114230839
N-(2,3-dichlorophenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550699
N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38344585
N-(2,3-dichlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 2574151
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 38211944
N-(2,3-dichlorophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 38877263

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide (CID 9339279) is N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide is Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2Cl)c(C)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The InChIKey is CODIYJAVPFIYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-12-8-13(2)20(14(3)9-12)24-18(27)11-25(4)10-17(26)23-16-7-5-6-15(21)19(16)22/h5-9H,10-11H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide has a molecular weight of 408.33 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide is sourced from PubChem (CID 9339279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).