2,2-dichloro-N-prop-2-enyl-N-propylacetamide

C8H13Cl2NO — CID 21403948

IUPAC2,2-dichloro-N-prop-2-enyl-N-propylacetamide
SMILESC=CCN(CCC)C(=O)C(Cl)Cl
InChIInChI=1S/C8H13Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3,7H,1,4-6H2,2H3
InChIKeyOJUXZSJOJZIWDH-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.21
Rot. Bonds5

About 2,2-dichloro-N-prop-2-enyl-N-propylacetamide

2,2-dichloro-N-prop-2-enyl-N-propylacetamide (PubChem CID 21403948) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is 2,2-dichloro-N-prop-2-enyl-N-propylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N-prop-2-enyl-N-propylacetamide
PubChem CID21403948
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name2,2-dichloro-N-prop-2-enyl-N-propylacetamide
SMILESC=CCN(CCC)C(=O)C(Cl)Cl
InChIInChI=1S/C8H13Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3,7H,1,4-6H2,2H3
InChIKeyOJUXZSJOJZIWDH-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-prop-2-enyl-N-propylacetamide?
The IUPAC name of 2,2-dichloro-N-prop-2-enyl-N-propylacetamide (CID 21403948) is 2,2-dichloro-N-prop-2-enyl-N-propylacetamide.
What is the SMILES notation for 2,2-dichloro-N-prop-2-enyl-N-propylacetamide?
The canonical SMILES for 2,2-dichloro-N-prop-2-enyl-N-propylacetamide is C=CCN(CCC)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-prop-2-enyl-N-propylacetamide?
The InChIKey is OJUXZSJOJZIWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3,7H,1,4-6H2,2H3.
What are the key properties of 2,2-dichloro-N-prop-2-enyl-N-propylacetamide?
2,2-dichloro-N-prop-2-enyl-N-propylacetamide has a molecular weight of 210.10 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-prop-2-enyl-N-propylacetamide is sourced from PubChem (CID 21403948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).