Basic information
- CAS
80687-19-0- Standard SMILES
O=NN(CCCl)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1- InChIKey
YHJIBICWNASFBW-UHFFFAOYSA-N- Molecular formula
- C18H19ClN4O3
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 374.1145682
Names & identifiers
- Preferred name
- 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-N,3-diphenylpropanamide
- IUPAC
- 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-N,3-diphenylpropanamide
Names & synonyms
80687-19-02-[[2-chloroethyl(nitroso)carbamoyl]amino]-N,3-diphenylpropanamideNSC356567DTXSID50320240NSC-356567Nalpha-[(2-Chloroethyl)(nitroso)carbamoyl]-N-phenylphenylalaninamide
Database identifiers
- CAS
80687-19-0- PubChem CID
- 337699
- DTXSID
DTXSID50320240
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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