Basic information
- CAS
180675-30-3- Standard SMILES
CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cc(O)c(NC(=O)c2ccccc2)cc1Cl- InChIKey
YDYNAYGZTQSLOH-UHFFFAOYSA-N- Molecular formula
- C33H41ClN2O4
- Average molar mass
- 565.1 g/mol
- Monoisotopic mass
- 564.27548547
Names & identifiers
- Preferred name
- 5'-Chloro-4'-(2-(2,4-di-tert-pentylphenoxy)butyrylamino)-2'-hydroxybenzanilide
- IUPAC
- N-[4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-5-chloro-2-hydroxyphenyl]benzamide
Names & synonyms
5'-Chloro-4'-(2-(2,4-di-tert-pentylphenoxy)butyrylamino)-2'-hydroxybenzanilideSCHEMBL10576782YDYNAYGZTQSLOH-UHFFFAOYSA-DTXSID901115423N-(4-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}-5-chloro-2-hydroxyphenyl)benzamide180675-30-32-benzamido-4-chloro-5-{2-(2,4-di-t-amylphenoxy)butanamido}phenolN-(5-Chloro-4-([2-(2,4-ditert-pentylphenoxy)butanoyl]amino)-2-hydroxyphenyl)benzamide #N-[4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-5-chloro-2-hydroxypheInChI=1/C33H41ClN2O4/c1-8-28(40-29-17-16-22(32(4,5)9-2)18-23(29)33(6,7)10-3)31(39)35-25-20-27(37)26(19-24(25)34)36-30(38)21-14-12-11-13-15-21/h11-20,28,37H,8-10H2,1-7H3,(H,35,39)(H,36,38)N-[4-[[2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-5-chloro-2-hydroxyphenyl]benzamide
Database identifiers
- CAS
180675-30-3- PubChem CID
- 571108
- DTXSID
DTXSID901115423- Nikkaji
- J1.423.980D
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 827
Related reactions
2 records
Compound notes
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