N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide

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Basic information

CAS: 849041-12-9
Standard SMILES: O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1F
InChIKey: XUBJCFKPUQQNHF-UHFFFAOYSA-N
Molecular formula: C17H15FN4O5
Average molar mass: 374.32 g/mol
Monoisotopic mass: 374.10264775

Names & identifiers

Preferred name: N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
IUPAC: N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide

Names & synonyms

N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamideN-{3-[2-(2-Fluorobenzoyl)hydrazinyl]-3-oxopropyl}-4-nitrobenzamideMLS002157806CHEMBL1553180DTXSID401328207HMS3057D07AKOS033987753849041-12-9SMR001240291SR-01000074674SR-01000074674-1Z27052759

Database identifiers

CAS: 849041-12-9
PubChem CID: 4858823
DTXSID: DTXSID401328207
ChEMBL: CHEMBL1553180

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 133 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 560

Experimental & physicochemical properties

Solubility23.2 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

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Compound notes

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