5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
Basic information
- CAS
851892-74-5- Standard SMILES
COc1ccc(Cl)cc1C(=O)NCC(c1ccco1)N(C)C- InChIKey
UKLPWYXYCCXPGO-UHFFFAOYSA-N- Molecular formula
- C16H19ClN2O3
- Average molar mass
- 322.78 g/mol
- Monoisotopic mass
- 322.1084202
Names & identifiers
- Preferred name
- 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
- IUPAC
- 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
Names & synonyms
5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide5-chloro-N-(2-(dimethylamino)-2-(furan-2-yl)ethyl)-2-methoxybenzamideMLS001233855CHEMBL1307994DTXSID301324769HMS2896K05AKOS016787047851892-74-5SMR000591480Z31954508F2880-0109
Database identifiers
- CAS
851892-74-5- PubChem CID
- 4884537
- DTXSID
DTXSID301324769- ChEMBL
CHEMBL1307994
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Experimental & physicochemical properties
Solubility45.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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