2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide

C13H17Cl2N3O2 — CID 8772570

IUPAC2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O2/c1-16-12(19)6-17-7-13(20)18(2)8-9-3-4-10(14)11(15)5-9/h3-5,17H,6-8H2,1-2H3,(H,16,19)
InChIKeyWUGFHODWLBTLEG-UHFFFAOYSA-N
MW318.20 g/mol
LogP1.29
Rot. Bonds6

About 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide

2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide (PubChem CID 8772570) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide
PubChem CID8772570
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O2/c1-16-12(19)6-17-7-13(20)18(2)8-9-3-4-10(14)11(15)5-9/h3-5,17H,6-8H2,1-2H3,(H,16,19)
InChIKeyWUGFHODWLBTLEG-UHFFFAOYSA-N
XLogP1.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923577
N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157979
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide
CID 112792453
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 8806601
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772386
N-[(3,4-dichlorophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 86990999
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55410574

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide (CID 8772570) is 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide is CNC(=O)CNCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide?
The InChIKey is WUGFHODWLBTLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-16-12(19)6-17-7-13(20)18(2)8-9-3-4-10(14)11(15)5-9/h3-5,17H,6-8H2,1-2H3,(H,16,19).
What are the key properties of 2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide?
2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide has a molecular weight of 318.20 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 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]amino]-N-methylacetamide is sourced from PubChem (CID 8772570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).