2-(3,5-dichloroanilino)-N,N-diethylacetamide

C12H16Cl2N2O — CID 28576153

IUPAC2-(3,5-dichloroanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-3-16(4-2)12(17)8-15-11-6-9(13)5-10(14)7-11/h5-7,15H,3-4,8H2,1-2H3
InChIKeyMAEBFHJKKYIGBN-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.27
Rot. Bonds5

About 2-(3,5-dichloroanilino)-N,N-diethylacetamide

2-(3,5-dichloroanilino)-N,N-diethylacetamide (PubChem CID 28576153) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-N,N-diethylacetamide
PubChem CID28576153
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-(3,5-dichloroanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-3-16(4-2)12(17)8-15-11-6-9(13)5-10(14)7-11/h5-7,15H,3-4,8H2,1-2H3
InChIKeyMAEBFHJKKYIGBN-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
2-(3,5-dimethylanilino)-N,N-diethylacetamide
CID 28582869
N-cyclopropyl-2-(3,5-dichloroanilino)-N-methylacetamide
CID 54957036
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
N,N-diethyl-2-(4-hydroxyanilino)acetamide
CID 11806273
methyl 2-(3,5-dichloroanilino)acetate
CID 28576225
2-(3-chloroanilino)-N,N-dipropylacetamide
CID 39367463
2-(3,5-dichloroanilino)-N-(4-fluorophenyl)-N-methylacetamide
CID 154666950
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide
CID 102759629
2-[(2,5-dichlorophenyl)methylamino]-N,N-diethylacetamide
CID 112704006
2-(3,5-dichlorophenoxy)-N,N-diethylacetamide
CID 84603845
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832743

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(3,5-dichloroanilino)-N,N-diethylacetamide (CID 28576153) is 2-(3,5-dichloroanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3,5-dichloroanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(3,5-dichloroanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CNc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichloroanilino)-N,N-diethylacetamide?
The InChIKey is MAEBFHJKKYIGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-3-16(4-2)12(17)8-15-11-6-9(13)5-10(14)7-11/h5-7,15H,3-4,8H2,1-2H3.
What are the key properties of 2-(3,5-dichloroanilino)-N,N-diethylacetamide?
2-(3,5-dichloroanilino)-N,N-diethylacetamide has a molecular weight of 275.18 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-N,N-diethylacetamide is sourced from PubChem (CID 28576153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).