5-Chloro-6-fluoro-1H-indole-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(3-chloro-4-fluoro-phenyl)-ethyl]-amide
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Basic information
- Standard SMILES
CC(C)(C)c1ccc(CN(CCc2ccc(F)c(Cl)c2)C(=O)c2c(F)c(Cl)cc3cc[nH]c23)cc1- InChIKey
ZMBBYRQJIRSIHW-UHFFFAOYSA-N- Molecular formula
- C28H26Cl2F2N2O
- Average molar mass
- 515.4 g/mol
- Monoisotopic mass
- 514.1390252
Names & identifiers
- Preferred name
- 5-Chloro-6-fluoro-1H-indole-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(3-chloro-4-fluoro-phenyl)-ethyl]-amide
- IUPAC
- N-[(4-tert-butylphenyl)methyl]-5-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-6-fluoro-1H-indole-7-carboxamide
Names & synonyms
ZMBBYRQJIRSIHW-UHFFFAOYSA-N5-Chloro-6-fluoro-1H-indole-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(3-chloro-4-fluoro-phenyl)-ethyl]-amide
Database identifiers
- PubChem CID
- 11577166
Properties
Computed structural propertiesFilling in
- XLogP
- 8.1
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 712
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Related reactions
2 records
Compound notes
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