2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide

C13H14Cl2N2O2 — CID 113180076

IUPAC2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N2O2/c1-3-7-16-12(19)8-17(9(2)18)11-6-4-5-10(14)13(11)15/h3-6H,1,7-8H2,2H3,(H,16,19)
InChIKeyVGQHKCUJGQVMLX-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.65
Rot. Bonds5

About 2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide

2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide (PubChem CID 113180076) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide
PubChem CID113180076
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N2O2/c1-3-7-16-12(19)8-17(9(2)18)11-6-4-5-10(14)13(11)15/h3-6H,1,7-8H2,2H3,(H,16,19)
InChIKeyVGQHKCUJGQVMLX-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
CID 113171662
2-(N-acetyl-2,3-dichloroanilino)-N-(4-chlorophenyl)acetamide
CID 113180167
3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide
CID 113127011
2-(N-acetyl-2,6-dimethylanilino)-N-prop-2-enylacetamide
CID 113168626
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
2-(N-acetyl-2,3-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 113180204
2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide
CID 113180210
2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide
CID 113168044
2-(N-acetyl-2,3-dichloroanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113180150
N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide
CID 113171239
2-(N-acetyl-2,3-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 113180102
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113180171

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide (CID 113180076) is 2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(C(C)=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide?
The InChIKey is VGQHKCUJGQVMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-3-7-16-12(19)8-17(9(2)18)11-6-4-5-10(14)13(11)15/h3-6H,1,7-8H2,2H3,(H,16,19).
What are the key properties of 2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide?
2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide has a molecular weight of 301.17 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 113180076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).