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

C13H18Cl2N2O — CID 103780154

IUPAC3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCC(NCCC(=O)N(C)C)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(16-8-7-12(18)17(2)3)10-5-4-6-11(14)13(10)15/h4-6,9,16H,7-8H2,1-3H3
InChIKeyVZRSRSZNXXWICM-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.12
Rot. Bonds5

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

3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide (PubChem CID 103780154) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide
PubChem CID103780154
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCC(NCCC(=O)N(C)C)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(16-8-7-12(18)17(2)3)10-5-4-6-11(14)13(10)15/h4-6,9,16H,7-8H2,1-3H3
InChIKeyVZRSRSZNXXWICM-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate
CID 103914729
3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 103778315
N-[1-(2,3-dichlorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 113259673
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
N-[1-(2,3-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103779145
N-[1-(2,3-dichlorophenyl)ethyl]-4-methylpentan-1-amine
CID 114079561
3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934715
ethyl 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propanoate
CID 81378408
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81380915
3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
3-[2-[1-(2,3-dichlorophenyl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103781904
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide (CID 103780154) is 3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide is CC(NCCC(=O)N(C)C)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide?
The InChIKey is VZRSRSZNXXWICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(16-8-7-12(18)17(2)3)10-5-4-6-11(14)13(10)15/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide?
3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide has a molecular weight of 289.21 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 103780154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).