Basic information
- Standard SMILES
COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3Cl)CC2)cc1- InChIKey
WWBLCCZGQDPUNW-UHFFFAOYSA-N- Molecular formula
- C17H14Cl2N2O3
- Average molar mass
- 365.2 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(1-(2,5-dichloronicotinamido)cyclopropyl)benzoate
- IUPAC
- methyl 4-[1-[(2,5-dichloropyridine-3-carbonyl)amino]cyclopropyl]benzoate
Names & synonyms
methyl 4-(1-(2,5-dichloronicotinamido)cyclopropyl)benzoate1380753-67-2SCHEMBL9900898WWBLCCZGQDPUNW-UHFFFAOYSA-NDB-360747
Database identifiers
- PubChem CID
- 86697873
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 490
Related reactions
8 records
Compound notes
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