2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide

C12H16Cl2N2O — CID 104923577

IUPAC2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-3-16(2)12(17)8-15-7-9-4-5-10(13)11(14)6-9/h4-6,15H,3,7-8H2,1-2H3
InChIKeyQEOVFMFMWCPHLP-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.56
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide

2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide (PubChem CID 104923577) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide
PubChem CID104923577
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-3-16(2)12(17)8-15-7-9-4-5-10(13)11(14)6-9/h4-6,15H,3,7-8H2,1-2H3
InChIKeyQEOVFMFMWCPHLP-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
CID 104923410
N-ethyl-N-methyl-2-(quinolin-6-ylmethylamino)acetamide
CID 104923508
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 43309591
4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide
CID 104923328
2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772570
2-[(3-cyano-4-fluorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 107781579
2-[(3,5-dimethoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923347
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine;oxalic acid
CID 163327159
2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide
CID 107166864
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide
CID 62538780
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 5222337

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide (CID 104923577) is 2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is QEOVFMFMWCPHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-3-16(2)12(17)8-15-7-9-4-5-10(13)11(14)6-9/h4-6,15H,3,7-8H2,1-2H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide?
2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 275.18 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104923577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).