3-chloro-N-[4-(3-chloropropanoylamino)butyl]propanamide
Basic information
- CAS
54378-01-7- Standard SMILES
O=C(CCCl)NCCCCNC(=O)CCCl- InChIKey
NGMTXZAMGJPRSS-UHFFFAOYSA-N- Molecular formula
- C10H18Cl2N2O2
- Average molar mass
- 269.17 g/mol
- Monoisotopic mass
- 268.0745332
Names & identifiers
- Preferred name
- 3-chloro-N-[4-(3-chloropropanoylamino)butyl]propanamide
- IUPAC
- 3-chloro-N-[4-(3-chloropropanoylamino)butyl]propanamide
Names & synonyms
54378-01-7NSC58842DTXSID60969482NSC-58842AKOS003876810N,N'-(Butane-1,4-diyl)bis(3-chloropropanimidic acid)
Database identifiers
- CAS
54378-01-7- PubChem CID
- 246200
- DTXSID
DTXSID60969482
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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