Basic information
- Standard SMILES
NC(=O)c1[nH]c2cnccc2c1-c1ccc(NC(=O)Nc2cc(F)cc(C(F)(F)F)c2)cc1- InChIKey
SUXDHTDMDRXBGJ-UHFFFAOYSA-N- Molecular formula
- C22H15F4N5O2
- Average molar mass
- 457.4 g/mol
- Monoisotopic mass
- 457.11618739
Names & identifiers
- Preferred name
- 3-{4-[3-(3-fluoro-5-trifluoromethylphenyl)ureido]-phenyl}-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
- IUPAC
- 3-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Names & synonyms
3-{4-[3-(3-fluoro-5-trifluoromethylphenyl)ureido]-phenyl}-1H-pyrrolo[2,3-c]pyridine-2-carboxamideSCHEMBL1880273SUXDHTDMDRXBGJ-UHFFFAOYSA-NVKWXAGGULTVJOQ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57445340
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 715
Related reactions
2 records
Compound notes
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