2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide

C21H25Cl2N3O2 — CID 8553110

IUPAC2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C21H25Cl2N3O2/c1-14-6-5-7-19(15(14)2)24-20(27)12-25(3)13-21(28)26(4)11-16-8-9-17(22)18(23)10-16/h5-10H,11-13H2,1-4H3,(H,24,27)
InChIKeyQDTCLQPDEXAQBS-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.14
Rot. Bonds7

About 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 8553110) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID8553110
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C21H25Cl2N3O2/c1-14-6-5-7-19(15(14)2)24-20(27)12-25(3)13-21(28)26(4)11-16-8-9-17(22)18(23)10-16/h5-10H,11-13H2,1-4H3,(H,24,27)
InChIKeyQDTCLQPDEXAQBS-UHFFFAOYSA-N
XLogP4.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553314
N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9287622
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 126010729
N-(2-chloro-4-methylphenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287929
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287854
N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287939
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113179482
N-(4-chloro-2-fluorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287978
N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 78787930
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide (CID 8553110) is 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is QDTCLQPDEXAQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-14-6-5-7-19(15(14)2)24-20(27)12-25(3)13-21(28)26(4)11-16-8-9-17(22)18(23)10-16/h5-10H,11-13H2,1-4H3,(H,24,27).
What are the key properties of 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 422.36 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 8553110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).