2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide

C21H26ClN3O2 — CID 8780400

IUPAC2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1C)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C21H26ClN3O2/c1-5-25(12-20(26)23-18-9-6-14(2)10-16(18)4)13-21(27)24-19-11-17(22)8-7-15(19)3/h6-11H,5,12-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyWQTYDZVNXBNBFE-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.16
Rot. Bonds7

About 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide

2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 8780400) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID8780400
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1C)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C21H26ClN3O2/c1-5-25(12-20(26)23-18-9-6-14(2)10-16(18)4)13-21(27)24-19-11-17(22)8-7-15(19)3/h6-11H,5,12-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyWQTYDZVNXBNBFE-UHFFFAOYSA-N
XLogP4.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976734
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565573
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18135124
2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 16554961
N-(2,4-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963407
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565572
2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113168161
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide (CID 8780400) is 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide is CCN(CC(=O)Nc1ccc(C)cc1C)CC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is WQTYDZVNXBNBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-5-25(12-20(26)23-18-9-6-14(2)10-16(18)4)13-21(27)24-19-11-17(22)8-7-15(19)3/h6-11H,5,12-13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide?
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 387.91 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 8780400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).