3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide

C17H18Cl2N2O — CID 109035835

IUPAC3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCNc1c(Cl)cccc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-11-5-3-6-12(2)16(11)21-15(22)9-10-20-17-13(18)7-4-8-14(17)19/h3-8,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyCTMGDEUJDZIJLP-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.05
Rot. Bonds5

About 3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide

3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide (PubChem CID 109035835) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
PubChem CID109035835
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCNc1c(Cl)cccc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-11-5-3-6-12(2)16(11)21-15(22)9-10-20-17-13(18)7-4-8-14(17)19/h3-8,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyCTMGDEUJDZIJLP-UHFFFAOYSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042717
3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036591
N-(3,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035918
N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035917
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155095

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide (CID 109035835) is 3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)CCNc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is CTMGDEUJDZIJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-11-5-3-6-12(2)16(11)21-15(22)9-10-20-17-13(18)7-4-8-14(17)19/h3-8,20H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide?
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 337.25 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 109035835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).