2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide

C13H19Cl2N3O — CID 108995350

IUPAC2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-18(2)8-4-7-16-12(19)9-17-11-6-3-5-10(14)13(11)15/h3,5-6,17H,4,7-9H2,1-2H3,(H,16,19)
InChIKeyMXEYCDCLCNPVRJ-UHFFFAOYSA-N
MW304.22 g/mol
LogP2.47
Rot. Bonds7

About 2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide

2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 108995350) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID108995350
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-18(2)8-4-7-16-12(19)9-17-11-6-3-5-10(14)13(11)15/h3,5-6,17H,4,7-9H2,1-2H3,(H,16,19)
InChIKeyMXEYCDCLCNPVRJ-UHFFFAOYSA-N
XLogP2.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995281
2-(2,3-dichloroanilino)-N-heptylacetamide
CID 54816059
N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
CID 108995266
2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995200
2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995310
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
2-(3-chloro-2-methylanilino)-N-pentylacetamide
CID 109006043
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
CID 108944155

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide (CID 108995350) is 2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)CNc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is MXEYCDCLCNPVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-18(2)8-4-7-16-12(19)9-17-11-6-3-5-10(14)13(11)15/h3,5-6,17H,4,7-9H2,1-2H3,(H,16,19).
What are the key properties of 2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide?
2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 304.22 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 108995350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).