3-chloro-N-[(3-chloropropanoylamino)methyl]propanamide
Basic information
- CAS
7614-86-0- Standard SMILES
O=C(CCCl)NCNC(=O)CCCl- InChIKey
IBHXXLMGTCXSOS-UHFFFAOYSA-N- Molecular formula
- C7H12Cl2N2O2
- Average molar mass
- 227.09 g/mol
- Monoisotopic mass
- 226.027583
Names & identifiers
- Preferred name
- 3-chloro-N-[(3-chloropropanoylamino)methyl]propanamide
- IUPAC
- 3-chloro-N-[(3-chloropropanoylamino)methyl]propanamide
Names & synonyms
7614-86-03-chloro-N-[(3-chloropropanoylamino)methyl]propanamideNSC517864DTXSID80325768NSC-517864N,N'-Methylenebis(3-chloropropanamide)
Database identifiers
- CAS
7614-86-0- PubChem CID
- 351003
- DTXSID
DTXSID80325768
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 158
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Compound notes
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