Basic information
- Standard SMILES
NC(=O)c1[nH]c2cnccc2c1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1- InChIKey
XEYUGPBCBBJELO-UHFFFAOYSA-N- Molecular formula
- C22H15ClF3N5O2
- Average molar mass
- 473.8 g/mol
Names & identifiers
- Preferred name
- 3-{4-[3-(2-chloro-5-trifluoromethylphenyl)ureido]phenyl}-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
- IUPAC
- 3-[4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Names & synonyms
3-{4-[3-(2-chloro-5-trifluoromethylphenyl)ureido]phenyl}-1H-pyrrolo[2,3-c]pyridine-2-carboxamideSCHEMBL1884927
Database identifiers
- PubChem CID
- 57445331
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 719
Related reactions
2 records
Linked notes
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