2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide

C12H16Cl2N2O — CID 43214674

IUPAC2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide
SMILESCC(NCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-8(15-7-12(17)16(2)3)9-4-5-10(13)11(14)6-9/h4-6,8,15H,7H2,1-3H3
InChIKeyMOUXNZBEYODGGT-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.73
Rot. Bonds4

About 2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide

2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide (PubChem CID 43214674) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide
PubChem CID43214674
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide
SMILESCC(NCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-8(15-7-12(17)16(2)3)9-4-5-10(13)11(14)6-9/h4-6,8,15H,7H2,1-3H3
InChIKeyMOUXNZBEYODGGT-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 83069532
N,N-dimethyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81355442
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214641
N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81405917
N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide
CID 43310888
N,N-dimethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 43214735
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8637666
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214750
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
CID 60865196
ethyl 3-[1-(3,4-dichlorophenyl)ethylamino]propanoate
CID 60647930

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide (CID 43214674) is 2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide is CC(NCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide?
The InChIKey is MOUXNZBEYODGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8(15-7-12(17)16(2)3)9-4-5-10(13)11(14)6-9/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide?
2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide has a molecular weight of 275.18 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43214674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).