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

C7H11Cl2NO — CID 21403921

IUPAC2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
SMILESC=CCN(CC)C(=O)C(Cl)Cl
InChIInChI=1S/C7H11Cl2NO/c1-3-5-10(4-2)7(11)6(8)9/h3,6H,1,4-5H2,2H3
InChIKeyLVQHOCVWQRSJDG-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.82
Rot. Bonds4

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

2,2-dichloro-N-ethyl-N-prop-2-enylacetamide (PubChem CID 21403921) has the molecular formula C7H11Cl2NO and a molecular weight of 196.08 g/mol. Its IUPAC name is 2,2-dichloro-N-ethyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
PubChem CID21403921
Molecular FormulaC7H11Cl2NO
Molecular Weight196.08 g/mol
Exact Mass195.02
IUPAC Name2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
SMILESC=CCN(CC)C(=O)C(Cl)Cl
InChIInChI=1S/C7H11Cl2NO/c1-3-5-10(4-2)7(11)6(8)9/h3,6H,1,4-5H2,2H3
InChIKeyLVQHOCVWQRSJDG-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.82
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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Related Compounds

2,2-dichloro-N-prop-2-enyl-N-propylacetamide
CID 21403948
2,2-dichloro-N,N-diethylacetamide
CID 141409453
4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499014
(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide
CID 81425726
N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide
CID 107033486
2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide
CID 81489014
2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide
CID 174887176
N-benzyl-2,2-dichloro-N-prop-2-enylacetamide
CID 10083827
1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941
2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide
CID 54249446
(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075
2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide
CID 20554032

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-ethyl-N-prop-2-enylacetamide?
The IUPAC name of 2,2-dichloro-N-ethyl-N-prop-2-enylacetamide (CID 21403921) is 2,2-dichloro-N-ethyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2,2-dichloro-N-ethyl-N-prop-2-enylacetamide?
The canonical SMILES for 2,2-dichloro-N-ethyl-N-prop-2-enylacetamide is C=CCN(CC)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-ethyl-N-prop-2-enylacetamide?
The InChIKey is LVQHOCVWQRSJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2NO/c1-3-5-10(4-2)7(11)6(8)9/h3,6H,1,4-5H2,2H3.
What are the key properties of 2,2-dichloro-N-ethyl-N-prop-2-enylacetamide?
2,2-dichloro-N-ethyl-N-prop-2-enylacetamide has a molecular weight of 196.08 g/mol, XLogP of 1.82, 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-ethyl-N-prop-2-enylacetamide is sourced from PubChem (CID 21403921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).