N-cyclopropyl-2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
Basic information
- CAS
878236-24-9- Standard SMILES
COc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1F- InChIKey
DSRZLJVCRNYSOD-UHFFFAOYSA-N- Molecular formula
- C21H24FN3O3
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.1801698
Names & identifiers
- Preferred name
- N-cyclopropyl-2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
- IUPAC
- N-cyclopropyl-2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
Names & synonyms
MLS002252855CHEMBL1870209DTXSID801329738HMS1776B17HMS3046K14AKOS034514760N-cyclopropyl-2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide878236-24-9SMR001315190Z65173910N-Cyclopropyl-2-({N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylglycyl}amino)benzamide
Database identifiers
- CAS
878236-24-9- PubChem CID
- 16293447
- DTXSID
DTXSID801329738- ChEMBL
CHEMBL1870209
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 543
Experimental & physicochemical properties
Solubility56 [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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