Basic information
- CAS
494746-41-7- Standard SMILES
O=C(NNC(=O)C1C2CCC(C2)C1C(=O)O)c1ccc(Cl)cc1- InChIKey
ZHLDZBFPGAIYNY-UHFFFAOYSA-N- Molecular formula
- C16H17ClN2O4
- Average molar mass
- 336.77 g/mol
- Monoisotopic mass
- 336.0876847
Names & identifiers
- Preferred name
- 3-{[2-(4-Chlorobenzoyl)hydrazino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
- IUPAC
- 3-[[(4-chlorobenzoyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
- English name
- 3-{[2-(4-chlorobenzoyl)hydrazino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
- Molecular formula
- C16H17ClN2O4
- Molecular weight
- 336.77018
Names & synonyms
3-{[2-(4-chlorobenzoyl)hydrazino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid3-({2-[(4-chlorophenyl)carbonyl]hydrazinyl}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acidAK-968/41026360MLS000704716CHEMBL1305662SCHEMBL30286890HMS2647A04STK425302AKOS003281523AKOS022167890SMR000231318ST50944577
Show more names
3-[[(4-chlorobenzoyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid3-{N-[(4-chlorophenyl)carbonylamino]carbamoyl}bicyclo[2.2.1]heptane-2-carboxyl ic acid
Database identifiers
- CAS
494746-41-7- PubChem CID
- 4232677
- ChEMBL
CHEMBL1305662
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 504
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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