2-(3,4-dichlorophenyl)-N,N-dimethylacetamide

C10H11Cl2NO — CID 14740023

IUPAC2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-13(2)10(14)6-7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3
InChIKeyHOKOAXARHUIVBG-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.62
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-N,N-dimethylacetamide

2-(3,4-dichlorophenyl)-N,N-dimethylacetamide (PubChem CID 14740023) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
PubChem CID14740023
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-13(2)10(14)6-7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3
InChIKeyHOKOAXARHUIVBG-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202302
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 63046152
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588
2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2672755
2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
CID 95171569
2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid
CID 60832402
1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79062065
N-[(1S)-2-amino-1-phenylethyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 121348065
3-[[2-(3,4-dichlorophenyl)acetyl]-ethylamino]butanoic acid
CID 62822279
N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide
CID 63045790
1-(3,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62619888

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N,N-dimethylacetamide (CID 14740023) is 2-(3,4-dichlorophenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N,N-dimethylacetamide?
The InChIKey is HOKOAXARHUIVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-13(2)10(14)6-7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N,N-dimethylacetamide?
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide has a molecular weight of 232.11 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 14740023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).