Basic information
- CAS
380563-37-1- Standard SMILES
O=C(COC(=O)C1CCCC1)Nc1cccc(Cl)c1Cl- InChIKey
DJGUAMJFIVLXKM-UHFFFAOYSA-N- Molecular formula
- C14H15Cl2NO3
- Average molar mass
- 316.2 g/mol
- Monoisotopic mass
- 315.0428987
Names & identifiers
- Preferred name
- [2-(2,3-Dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
- IUPAC
- [2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
Names & synonyms
[2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylateOprea1_218462MLS002246315CHEMBL1878302DTXSID901324462HMS3092D12AKOS033613652380563-37-1SMR001309933Z183763112-(2,3-Dichloroanilino)-2-oxoethyl cyclopentanecarboxylate
Database identifiers
- CAS
380563-37-1- PubChem CID
- 2355464
- DTXSID
DTXSID901324462- ChEMBL
CHEMBL1878302
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
Solubility5.9 [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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