Acetamide, N-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)propyl]-
Basic information
- CAS
71856-94-5- Standard SMILES
CC(=O)NC(CCc1ccc(Cl)c(Cl)c1)c1cccc(O)c(=O)c1- InChIKey
MIGSPHGJQIIJCX-UHFFFAOYSA-N- Molecular formula
- C18H17Cl2NO3
- Average molar mass
- 366.2 g/mol
- Monoisotopic mass
- 365.0585488
Names & identifiers
- Preferred name
- Acetamide, N-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)propyl]-
- IUPAC
- N-[3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)propyl]acetamide
Names & synonyms
MLS00311555171856-94-5NSC282885CHEMBL1881977SCHEMBL10742491SCHEMBL16749034DTXSID90314421NSC-282885N-[3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)propyl]acetamideAcetamide, N-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)propyl]-SMR001831125Acetamide,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)propyl]-
Show more names
N-[3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxo-cyclohepta-1,4,6-trien-1-yl)propyl]acetamide
Database identifiers
- CAS
71856-94-5- PubChem CID
- 323364
- DTXSID
DTXSID90314421- ChEMBL
CHEMBL1881977
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 583
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Related reactions
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Compound notes
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