N-allyl-2,2-dichloroacetamide
Basic information
- CAS
39089-53-7- Standard SMILES
C=CCNC(=O)C(Cl)Cl- InChIKey
QEVQAUWGMNGRTB-UHFFFAOYSA-N- Molecular formula
- C5H7Cl2NO
- Average molar mass
- 168.02 g/mol
- Monoisotopic mass
- 166.9904692
Names & identifiers
- Preferred name
- N-allyl-2,2-dichloroacetamide
- IUPAC
- 2,2-dichloro-N-prop-2-enylacetamide
Names & synonyms
N-allyl-2,2-dichloroacetamide39089-53-7acetamide, 2,2-dichloro-N-2-propenyl-2,2-dichloro-N-prop-2-enylacetamide2,2-DICHLORO-N-(PROP-2-EN-1-YL)ACETAMIDECHEMBL2269070SCHEMBL10980481DTXSID10349093AKOS003801511InChI=1/C5H7Cl2NO/c1-2-3-8-5(9)4(6)7/h2,4H,1,3H2,(H,8,9
Database identifiers
- CAS
39089-53-7- PubChem CID
- 642909
- DTXSID
DTXSID10349093- ChEMBL
CHEMBL2269070- Nikkaji
- J1.231.902I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
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Compound notes
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