Basic information
- CAS
794537-14-7- Standard SMILES
O=C(CNC(=O)C1CCCCC1)Nc1ccc(F)c(Cl)c1- InChIKey
QJLPLVGQZWYTEN-UHFFFAOYSA-N- Molecular formula
- C15H18ClFN2O2
- Average molar mass
- 312.76 g/mol
- Monoisotopic mass
- 312.1040837
Names & identifiers
- Preferred name
- N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]cyclohexanecarboxamide
- IUPAC
- N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]cyclohexanecarboxamide
Names & synonyms
MLS001007899N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]cyclohexanecarboxamideSMR000352774CHEMBL1399679BDBM90582cid_2572012DTXSID101330605HMS2717I16AKOS016469408794537-14-7Z32389640N-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]cyclohexanecarboxamide
Show more names
N-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexanecarboxamide
Database identifiers
- CAS
794537-14-7- PubChem CID
- 2572012
- DTXSID
DTXSID101330605- ChEMBL
CHEMBL1399679
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Experimental & physicochemical properties
Solubility8.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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