Basic information
- CAS
101651-57-4- Standard SMILES
CCOc1ccc(NC(C)=O)cc1CCN(CCCl)CCCl- InChIKey
ZRNOPPYCTRPPCB-UHFFFAOYSA-N- Molecular formula
- C16H24Cl2N2O2
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 346.1214834
Names & identifiers
- Preferred name
- Acetanilide, 3'-(2-(bis(2-chloroethyl)amino)ethyl)-4'-ethoxy-
- IUPAC
- N-[3-[2-[bis(2-chloroethyl)amino]ethyl]-4-ethoxyphenyl]acetamide
Names & synonyms
101651-57-4ACETANILIDE, 3'-(2-(BIS(2-CHLOROETHYL)AMINO)ETHYL)-4'-ETHOXY-3-Bis(2-chloroethyl)aminoethyl-4-ethoxy-acetamidobenzenen-(3-{2-[bis(2-chloroethyl)amino]ethyl}-4-ethoxyphenyl)acetamideDTXSID00144094Acetamide, N-[3-[2-[bis(2-chloroethyl)amino]ethyl]-4-ethoxyphenyl]-
Database identifiers
- CAS
101651-57-4- PubChem CID
- 58610
- DTXSID
DTXSID00144094- Nikkaji
- J73.550G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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