N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
Basic information
- CAS
331846-06-1- Standard SMILES
Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-]- InChIKey
NKIJNFMSYDSAJK-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2N2O3
- Average molar mass
- 325.1 g/mol
- Monoisotopic mass
- 324.0068476
Overview
inhibits dihydroorotate dehydrogenase from P. falciparum; structure in first source
Names & identifiers
- Preferred name
- N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
- IUPAC
- N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
Names & synonyms
N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide331846-06-1DCPMNB cpdDTXSID50355395DSM59 compoundRefChem:926731DTXCID20306455benzamide compound 3Asinex compound no. 6Oprea1_049304Oprea1_295970CHEMBL217893
Show more names
SCHEMBL18120561BDBM14711EBC-09092STK020274AKOS003270080PD186834ST50693254AG-690/11634132
Database identifiers
- CAS
331846-06-1- PubChem CID
- 799096
- DTXSID
DTXSID50355395- ChEMBL
CHEMBL217893
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…