2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide

C11H14Cl3N3O — CID 62688637

IUPAC2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCN(CCN)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3N3O/c1-17(3-2-15)6-11(18)16-10-5-8(13)7(12)4-9(10)14/h4-5H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyVWHVMIRBNJQFEE-UHFFFAOYSA-N
MW310.61 g/mol
LogP2.48
Rot. Bonds5

About 2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide

2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 62688637) has the molecular formula C11H14Cl3N3O and a molecular weight of 310.61 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID62688637
Molecular FormulaC11H14Cl3N3O
Molecular Weight310.61 g/mol
Exact Mass309.02
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCN(CCN)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3N3O/c1-17(3-2-15)6-11(18)16-10-5-8(13)7(12)4-9(10)14/h4-5H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyVWHVMIRBNJQFEE-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.61
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetic acid
CID 43442478
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8756684
2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 62687923
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
3-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986545
2-[2-aminoethyl(methyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 62687733
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
2-[methyl-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]propanoic acid;hydrochloride
CID 119913466
2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 81492824
3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914665
N-cyclopropyl-4-[[methyl-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]methyl]benzamide
CID 34622925

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide (CID 62688637) is 2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide is CN(CCN)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is VWHVMIRBNJQFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3N3O/c1-17(3-2-15)6-11(18)16-10-5-8(13)7(12)4-9(10)14/h4-5H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 310.61 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 62688637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).