[2-(Cyclopentylamino)-2-oxoethyl] 4-chloro-3-nitrobenzoate
Basic information
- CAS
728904-27-6- Standard SMILES
O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC1CCCC1- InChIKey
BCIVAVMGEXAZIP-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O5
- Average molar mass
- 326.73 g/mol
- Monoisotopic mass
- 326.0669493
Names & identifiers
- Preferred name
- [2-(Cyclopentylamino)-2-oxoethyl] 4-chloro-3-nitrobenzoate
- IUPAC
- [2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-nitrobenzoate
Names & synonyms
[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-nitrobenzoateMLS001174182CHEMBL1409556DTXSID401328914HMS2872F03AKOS033698686728904-27-6SMR000589346AB00717891-01SR-01000039977SR-01000039977-1Z19667205
Show more names
2-(Cyclopentylamino)-2-oxoethyl 4-chloro-3-nitrobenzoate
Database identifiers
- CAS
728904-27-6- PubChem CID
- 2391082
- DTXSID
DTXSID401328914- ChEMBL
CHEMBL1409556
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Solubility7.6 [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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