2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide

C13H16Cl2N2O2 — CID 62035140

IUPAC2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-3-16-13(19)8-17(2)7-12(18)9-4-5-10(14)11(15)6-9/h4-6H,3,7-8H2,1-2H3,(H,16,19)
InChIKeyGWBNNYBPUWMOBY-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.24
Rot. Bonds6

About 2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide

2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide (PubChem CID 62035140) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
PubChem CID62035140
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-3-16-13(19)8-17(2)7-12(18)9-4-5-10(14)11(15)6-9/h4-6H,3,7-8H2,1-2H3,(H,16,19)
InChIKeyGWBNNYBPUWMOBY-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62050806
N-cyclopropyl-2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 62037469
2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 62035144
2-[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037418
1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207252
2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62051003
2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone
CID 63567379
3-chloro-4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]benzoic acid
CID 81152000
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 106501594
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60679933
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61453131

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide (CID 62035140) is 2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)CC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide?
The InChIKey is GWBNNYBPUWMOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-3-16-13(19)8-17(2)7-12(18)9-4-5-10(14)11(15)6-9/h4-6H,3,7-8H2,1-2H3,(H,16,19).
What are the key properties of 2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide?
2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide has a molecular weight of 303.19 g/mol, XLogP of 2.24, 6 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)-2-oxoethyl]-methylamino]-N-ethylacetamide is sourced from PubChem (CID 62035140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).