3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide

C11H13Cl2N3O2 — CID 43627349

IUPAC3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide
SMILESNC(=O)CCNCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2N3O2/c12-7-2-1-3-8(13)11(7)16-10(18)6-15-5-4-9(14)17/h1-3,15H,4-6H2,(H2,14,17)(H,16,18)
InChIKeyXHFJUDHHTCXHGS-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.40
Rot. Bonds6

About 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide

3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide (PubChem CID 43627349) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide
PubChem CID43627349
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide
SMILESNC(=O)CCNCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2N3O2/c12-7-2-1-3-8(13)11(7)16-10(18)6-15-5-4-9(14)17/h1-3,15H,4-6H2,(H2,14,17)(H,16,18)
InChIKeyXHFJUDHHTCXHGS-UHFFFAOYSA-N
XLogP1.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]propanamide
CID 43626499
N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide
CID 43405278
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366
N-(2,6-dichlorophenyl)-2-[2-[ethyl(methyl)amino]ethylamino]acetamide
CID 62642488
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 43553539
N-(2,6-dichlorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000245
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615
N-(2,6-dichlorophenyl)-2-[(5-hydroxy-4-methylpentyl)amino]acetamide
CID 106160091
N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012161

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide (CID 43627349) is 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide is NC(=O)CCNCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is XHFJUDHHTCXHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c12-7-2-1-3-8(13)11(7)16-10(18)6-15-5-4-9(14)17/h1-3,15H,4-6H2,(H2,14,17)(H,16,18).
What are the key properties of 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide?
3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 290.15 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 43627349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).