Basic information
- CAS
851798-78-2- Standard SMILES
O=C(NCCc1ccc(Cl)cc1)c1n[nH]c2ccccc12- InChIKey
LJGKSOUQOFWWST-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O
- Average molar mass
- 299.75 g/mol
- Monoisotopic mass
- 299.0825398
Names & identifiers
- Preferred name
- N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
- IUPAC
- N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
Names & synonyms
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide851798-78-2MLS001006313CHEMBL1443234DTXSID501324103HMS2677O10AKOS008932723AKOS024651469SMR000384274VU0495139-1N-(4-chlorophenethyl)-1H-indazole-3-carboxamideZ32450424
Show more names
F2491-0085
Database identifiers
- CAS
851798-78-2- PubChem CID
- 4884098
- DTXSID
DTXSID501324103- ChEMBL
CHEMBL1443234
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
Solubility0.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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