N-((4-((1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)phenyl)methyl)-2-chloroacetamide
Basic information
- CAS
57232-98-1- Standard SMILES
Nc1c(Oc2ccc(CNC(=O)CCl)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O- InChIKey
XYJMEPSKBLBCEX-UHFFFAOYSA-N- Molecular formula
- C23H17ClN2O5
- Average molar mass
- 436.8 g/mol
- Monoisotopic mass
- 436.0825993
Names & identifiers
- Preferred name
- N-((4-((1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)phenyl)methyl)-2-chloroacetamide
- IUPAC
- N-[[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenyl]methyl]-2-chloroacetamide
- English name
- N-[[4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl]methyl]-2-chloroacetamide
- Molecular formula
- C23H17ClN2O5
- Molecular weight
- 436.84
Names & synonyms
57232-98-1N-((4-((1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)phenyl)methyl)-2-chloroacetamideEINECS 260-638-2H5D29P9W6ADTXSID00205851XYJMEPSKBLBCEX-UHFFFAOYSA-NN-({4-[(1-AMINO-4-HYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-2-YL)OXY]PHENYL}METHYL)-2-CHLOROACETAMIDENS00033669Acetamide, N-[[4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenyl]methyl]-2-chloro-N-[[4-[(1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenyl]methyl]-2-chloroacetamideN-[[4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl]methyl]-2-chloroacetamideN-[[4-[[(1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxoanthracen)-2-yl]oxy]phenyl]methyl]-2-chloroacetamide
Database identifiers
- CAS
57232-98-1- PubChem CID
- 93589
- DTXSID
DTXSID00205851- UNII
- H5D29P9W6A
- EC Number
- 260-638-2
- Nikkaji
- J349.115C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 695
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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Compound notes
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