Basic information
- CAS
623907-44-8- Standard SMILES
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1I- InChIKey
LEOLFBXVVLSDHD-UHFFFAOYSA-N- Molecular formula
- C18H19IN2O2
- Average molar mass
- 422.3 g/mol
- Monoisotopic mass
- 422.04912585
Names & identifiers
- Preferred name
- 3-Iodo-4-methyl-N-[3-(4-morpholinyl)phenyl]benzamide
- IUPAC
- 3-iodo-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
Names & synonyms
623907-44-8CHEMBL5230653-Iodo-4-methyl-N-[3-(4-morpholinyl)phenyl]benzamideSCHEMBL3527294DTXSID20659559LEOLFBXVVLSDHD-UHFFFAOYSA-NBDBM50264913DA-235233-iodo-4-methyl-N-(3-morpholinophenyl)benzamide3-Iodo-4-methyl-N-[3-(morpholin-4-yl)phenyl]benzamide
Database identifiers
- CAS
623907-44-8- PubChem CID
- 44580283
- DTXSID
DTXSID20659559- ChEMBL
CHEMBL523065
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Related reactions
3 records
Compound notes
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