N,2-dichloro-N-prop-2-enylacetamide

C5H7Cl2NO — CID 19826575

IUPACN,2-dichloro-N-prop-2-enylacetamide
SMILESC=CCN(Cl)C(=O)CCl
InChIInChI=1S/C5H7Cl2NO/c1-2-3-8(7)5(9)4-6/h2H,1,3-4H2
InChIKeyPMVLGUMRHVMBLS-UHFFFAOYSA-N
MW168.02 g/mol
LogP1.39
Rot. Bonds3

About N,2-dichloro-N-prop-2-enylacetamide

N,2-dichloro-N-prop-2-enylacetamide (PubChem CID 19826575) has the molecular formula C5H7Cl2NO and a molecular weight of 168.02 g/mol. Its IUPAC name is N,2-dichloro-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN,2-dichloro-N-prop-2-enylacetamide
PubChem CID19826575
Molecular FormulaC5H7Cl2NO
Molecular Weight168.02 g/mol
Exact Mass166.99
IUPAC NameN,2-dichloro-N-prop-2-enylacetamide
SMILESC=CCN(Cl)C(=O)CCl
InChIInChI=1S/C5H7Cl2NO/c1-2-3-8(7)5(9)4-6/h2H,1,3-4H2
InChIKeyPMVLGUMRHVMBLS-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.02
LogP ≤ 51.39
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dichloro-N-prop-2-enylacetamide?
The IUPAC name of N,2-dichloro-N-prop-2-enylacetamide (CID 19826575) is N,2-dichloro-N-prop-2-enylacetamide.
What is the SMILES notation for N,2-dichloro-N-prop-2-enylacetamide?
The canonical SMILES for N,2-dichloro-N-prop-2-enylacetamide is C=CCN(Cl)C(=O)CCl.
What is the InChIKey of N,2-dichloro-N-prop-2-enylacetamide?
The InChIKey is PMVLGUMRHVMBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl2NO/c1-2-3-8(7)5(9)4-6/h2H,1,3-4H2.
What are the key properties of N,2-dichloro-N-prop-2-enylacetamide?
N,2-dichloro-N-prop-2-enylacetamide has a molecular weight of 168.02 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dichloro-N-prop-2-enylacetamide is sourced from PubChem (CID 19826575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).