2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide

C13H20ClN3O — CID 108995281

IUPAC2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CNc1ccccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-17(2)9-5-8-15-13(18)10-16-12-7-4-3-6-11(12)14/h3-4,6-7,16H,5,8-10H2,1-2H3,(H,15,18)
InChIKeyBEFSORYGVNAGAL-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.82
Rot. Bonds7

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

2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 108995281) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID108995281
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CNc1ccccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-17(2)9-5-8-15-13(18)10-16-12-7-4-3-6-11(12)14/h3-4,6-7,16H,5,8-10H2,1-2H3,(H,15,18)
InChIKeyBEFSORYGVNAGAL-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.82
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-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995350
2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995200
N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
CID 108944155
N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
CID 108995266
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
2-(3-chloro-2-methylanilino)-N-pentylacetamide
CID 109006043
2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995310
2-(2,3-dichloroanilino)-N-heptylacetamide
CID 54816059
2-(2-chloroanilino)acetohydrazide;hydrochloride
CID 131089719
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide (CID 108995281) is 2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)CNc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is BEFSORYGVNAGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-17(2)9-5-8-15-13(18)10-16-12-7-4-3-6-11(12)14/h3-4,6-7,16H,5,8-10H2,1-2H3,(H,15,18).
What are the key properties of 2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide?
2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 269.78 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 108995281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).