Basic information
- CAS
40478-19-1- Standard SMILES
O=C(NCN(CCCl)CCCl)c1ccc(F)cc1- InChIKey
UHUXDBVLHUIQPV-UHFFFAOYSA-N- Molecular formula
- C12H15Cl2FN2O
- Average molar mass
- 293.16 g/mol
- Monoisotopic mass
- 292.0545467
Names & identifiers
- Preferred name
- Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-fluoro-
- IUPAC
- N-[bis(2-chloroethyl)aminomethyl]-4-fluorobenzamide
Names & synonyms
BRN 1981568Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-fluoro-40478-19-1N-((Bis(2-chloroethyl)amino)methyl)-4-fluorobenzamideN-(Bis(2-chloraethyl)aminomethyl)-4-fluorbenzamid [German]DTXSID40193485N-(Bis(2-chloraethyl)aminomethyl)-4-fluorbenzamidn-{[bis(2-chloroethyl)amino]methyl}-4-fluorobenzamideRefChem:322062DTXCID50115976
Database identifiers
- CAS
40478-19-1- PubChem CID
- 218316
- DTXSID
DTXSID40193485
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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