Basic information
- Standard SMILES
CN1CCC(Oc2cc(N3CCCC3)ccc2C(=O)Nc2ccc(F)cc2C(=O)Nc2ncccc2[N+](=O)[O-])CC1.Cl- InChIKey
ARIJNQSVQMHBOH-UHFFFAOYSA-N- Molecular formula
- C29H32ClFN6O5
- Average molar mass
- 599.1 g/mol
Names & identifiers
- Preferred name
- 5-fluoro-2-[2-(1-methylpiperidin-4-yloxy)-4-(pyrrolidin-1-yl)benzoylamino]-N-(3-nitro-pyridin-2-yl)benzamide hydrochloride
- IUPAC
- N-[4-fluoro-2-[(3-nitro-2-pyridinyl)carbamoyl]phenyl]-2-(1-methylpiperidin-4-yl)oxy-4-pyrrolidin-1-ylbenzamide;hydrochloride
Names & synonyms
SCHEMBL3157448ARIJNQSVQMHBOH-UHFFFAOYSA-N5-fluoro-2-[2-(1-methylpiperidin-4-yloxy)-4-(pyrrolidin-1-yl)benzoylamino]-N-(3-nitro-pyridin-2-yl)benzamide hydrochloride
Database identifiers
- PubChem CID
- 68532907
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 909
Related reactions
1 records
Compound notes
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