2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid

C13H16Cl2N2O3 — CID 62820409

IUPAC2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C13H16Cl2N2O3/c1-13(2,12(19)20)17(3)7-11(18)16-10-6-8(14)4-5-9(10)15/h4-6H,7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyUPYDIVYCPSUPJU-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.73
Rot. Bonds5

About 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid

2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62820409) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
PubChem CID62820409
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C13H16Cl2N2O3/c1-13(2,12(19)20)17(3)7-11(18)16-10-6-8(14)4-5-9(10)15/h4-6H,7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyUPYDIVYCPSUPJU-UHFFFAOYSA-N
XLogP2.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986545
N-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821107
N-(2,5-dichlorophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960336
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2,5-dichlorophenyl)acetamide
CID 79664777
2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822506
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid (CID 62820409) is 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid is CN(CC(=O)Nc1cc(Cl)ccc1Cl)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is UPYDIVYCPSUPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-13(2,12(19)20)17(3)7-11(18)16-10-6-8(14)4-5-9(10)15/h4-6H,7H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 319.19 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).