Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
Basic information
- CAS
1921-12-6- Standard SMILES
O=C(NC(Cc1ccc(N(CCF)CCCl)cc1)C(=O)O)c1ccccc1- InChIKey
MMDMENBHDGFFBO-UHFFFAOYSA-N- Molecular formula
- C20H22ClFN2O3
- Average molar mass
- 392.8 g/mol
- Monoisotopic mass
- 392.1302984
Names & identifiers
- Preferred name
- Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
- IUPAC
- 2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
Names & synonyms
4252-37-3N-Benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)alanineALANINE, N-BENZOYL-3-(p-((2-CHLOROETHYL)(2-FLUOROETHYL)AMINO)PHENYL)-RefChem:318011NCIOpen2_009255DTXSID20962550NSC81147NSC-811474-[(2-Chloroethyl)(2-fluoroethyl)amino]-N-[hydroxy(phenyl)methylidene]phenylalanine1921-12-6
Database identifiers
- CAS
1921-12-6、4252-37-3- PubChem CID
- 20248
- DTXSID
DTXSID20962550
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 466
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Compound notes
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