2,2-dichloro-N-propyl-N-prop-2-ynylacetamide

C8H11Cl2NO — CID 13324355

IUPAC2,2-dichloro-N-propyl-N-prop-2-ynylacetamide
SMILESC#CCN(CCC)C(=O)C(Cl)Cl
InChIInChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h1,7H,4-6H2,2H3
InChIKeyUJWOKYNOGMNYTC-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.66
Rot. Bonds4

About 2,2-dichloro-N-propyl-N-prop-2-ynylacetamide

2,2-dichloro-N-propyl-N-prop-2-ynylacetamide (PubChem CID 13324355) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 2,2-dichloro-N-propyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N-propyl-N-prop-2-ynylacetamide
PubChem CID13324355
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name2,2-dichloro-N-propyl-N-prop-2-ynylacetamide
SMILESC#CCN(CCC)C(=O)C(Cl)Cl
InChIInChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h1,7H,4-6H2,2H3
InChIKeyUJWOKYNOGMNYTC-UHFFFAOYSA-N
XLogP1.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-propyl-N-prop-2-ynylacetamide?
The IUPAC name of 2,2-dichloro-N-propyl-N-prop-2-ynylacetamide (CID 13324355) is 2,2-dichloro-N-propyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2,2-dichloro-N-propyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2,2-dichloro-N-propyl-N-prop-2-ynylacetamide is C#CCN(CCC)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-propyl-N-prop-2-ynylacetamide?
The InChIKey is UJWOKYNOGMNYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h1,7H,4-6H2,2H3.
What are the key properties of 2,2-dichloro-N-propyl-N-prop-2-ynylacetamide?
2,2-dichloro-N-propyl-N-prop-2-ynylacetamide has a molecular weight of 208.09 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-propyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 13324355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).