N-1-Anthraquinonyl-2,3-dichloropropionamide
Basic information
- CAS
63915-90-2- Standard SMILES
O=C1c2ccccc2C(=O)c2c(NC(=O)C(Cl)CCl)cccc21- InChIKey
NMNHTHKXGSVAQT-UHFFFAOYSA-N- Molecular formula
- C17H11Cl2NO3
- Average molar mass
- 348.2 g/mol
- Monoisotopic mass
- 347.0115986
Names & identifiers
- Preferred name
- N-1-Anthraquinonyl-2,3-dichloropropionamide
- IUPAC
- 2,3-dichloro-N-(9,10-dioxoanthracen-1-yl)propanamide
- English name
- N-(9,10-Dihydro-9,10-dioxoanthracen-1-yl)-2,3-dichloropropionamide
- Molecular formula
- C17H11Cl2NO3
- Molecular weight
- 348.18
Names & synonyms
N-1-Anthraquinonyl-2,3-dichloropropionamide63915-90-2Propionamide, N-(1-anthraquinonyl)-2,3-dichloro-NSC-127763C7V36W9UL7RefChem:1091490NSC127763NSC 127763Propanamide der.2,3-dichloro-n-(9,10-dioxo-9,10-dihydroanthracen-1-yl)propanamideAnthraquinone, 1-((1,2-dichloroethyl)carbonylimino)-CHEMBL1966914
Show more names
SCHEMBL15245122DTXSID201384805N-(9,10-Dihydro-9,10-dioxoanthracen-1-yl)-2,3-dichloropropionamidePropanamide, 2,3-dichloro-N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-NCI60_000635DB-2984932,3-dichloro-N-(9,10-dioxo-1-anthryl)propanamide2,3-Dichloro-N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)propanamide
Database identifiers
- CAS
63915-90-2- PubChem CID
- 73490
- DTXSID
DTXSID201384805- ChEMBL
CHEMBL1966914- UNII
- C7V36W9UL7
- Nikkaji
- J87.401I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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