Basic information
- CAS
315671-43-3- Standard SMILES
Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)CCC(=O)O- InChIKey
IFHQAPKTZRSYEL-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O5
- Average molar mass
- 355.77 g/mol
Names & identifiers
- Preferred name
- 4-(2-{4-[(3-Chloro-2-methylphenyl)amino]-4-oxobutanoyl}hydrazino)-4-oxobutanoic acid
- IUPAC
- 4-[2-[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]hydrazinyl]-4-oxobutanoic acid
- English name
- 4-{2-[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]hydrazino}-4-oxobutanoic acid
- Molecular formula
- C15H18ClN3O5
- Molecular weight
- 355.78
Names & synonyms
4-(2-{4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoyl}hydrazino)-4-oxobutanoic acid315671-43-34-(2-(4-((3-Chloro-2-methylphenyl)amino)-4-oxobutanoyl)hydrazinyl)-4-oxobutanoic acid4-[2-[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]hydrazinyl]-4-oxobutanoic acid4-(2-{4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoyl}hydrazinyl)-4-oxobutanoic acidMLS000714457CHEMBL1369682HMS2668H06STK059828AKOS000488194SMR000274436SR-01000315477
Show more names
Butanedioic acid, 1-[2-[4-[(3-chloro-2-methylphenyl)amino]-1,4-dioxobutyl]hydrazide]
SR-01000315477-14-{2-[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]hydrazino}-4-oxobutanoic acid
Database identifiers
- CAS
315671-43-3
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Boiling point
- 711.6 · 711.6±60.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 5.02 · 5.02±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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