Basic information
- CAS
13012-70-9- Standard SMILES
O=C(CCNNC(=O)c1ccncc1)NCc1ccc(Cl)cc1Cl- InChIKey
UFJAKDVTSZYIBI-UHFFFAOYSA-N- Molecular formula
- C16H16Cl2N4O2
- Average molar mass
- 367.2 g/mol
- Monoisotopic mass
- 366.0650312
Names & identifiers
- Preferred name
- Isonicotinic acid, 2-(2-((2,4-dichlorobenzyl)carbamoyl)ethyl)hydrazide
- IUPAC
- N-[(2,4-dichlorophenyl)methyl]-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
Names & synonyms
P 1265BRN 0497324ISONICOTINIC ACID, 2-(2-((2,4-DICHLOROBENZYL)CARBAMOYL)ETHYL)HYDRAZIDE13012-70-9DTXSID80156352RefChem:349679DTXCID8078843N-[(2,4-Dichlorophenyl)methyl]-3-[2-(pyridine-4-carbonyl)hydrazin-1-yl]propanamide
Database identifiers
- CAS
13012-70-9- PubChem CID
- 25595
- DTXSID
DTXSID80156352
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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