N-(4-(Benzoylamino)phenyl)-4-(2-(5-(((2-chloro-5-(trifluoromethyl)phenyl)amino)carbonyl)-2-methoxyphenyl)diazenyl)-3-hydroxy-2-naphthalenecarboxamide
Basic information
- CAS
79665-30-8- Standard SMILES
COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1N=Nc1c(O)c(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc2ccccc12- InChIKey
PWVSVPMRPDQSJD-UHFFFAOYSA-N- Molecular formula
- C39H27ClF3N5O5
- Average molar mass
- 738.1 g/mol
- Monoisotopic mass
- 737.1652812
Names & identifiers
- Preferred name
- N-(4-(Benzoylamino)phenyl)-4-(2-(5-(((2-chloro-5-(trifluoromethyl)phenyl)amino)carbonyl)-2-methoxyphenyl)diazenyl)-3-hydroxy-2-naphthalenecarboxamide
- IUPAC
- N-(4-benzamidophenyl)-4-[[5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-methoxyphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
Names & synonyms
79665-30-8N-[4-(Benzoylamino)phenyl]-4-[2-[5-[[[2-chloro-5-(trifluoromethyl)phenyl]amino]carbonyl]-2-methoxyphenyl]diazenyl]-3-hydroxy-2-naphthalenecarboxamideN-(4-(Benzoylamino)phenyl)-4-(2-(5-(((2-chloro-5-(trifluoromethyl)phenyl)amino)carbonyl)-2-methoxyphenyl)diazenyl)-3-hydroxy-2-naphthalenecarboxamideRefChem:361667EINECS 279-218-5N-(4-(Benzoylamino)phenyl)-4-((5-(((2-chloro-5-(trifluoromethyl)phenyl)amino)carbonyl)-2-methoxyphenyl)azo)-3-hydroxynaphthalene-2-carboxamideDTXSID701100321NS00060675
Database identifiers
- CAS
79665-30-8- PubChem CID
- 3018853
- DTXSID
DTXSID701100321- EC Number
- 279-218-5
- Nikkaji
- J320.135J
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,280
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
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Compound notes
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