Basic information
- Standard SMILES
CCN(C(=O)CCCC(=O)Nc1ccc(Cl)cc1C(=O)O)c1cc(-c2ccoc2)ccc1C- InChIKey
XJPALGJOEKUEQQ-UHFFFAOYSA-N- Molecular formula
- C25H25ClN2O5
- Average molar mass
- 468.9 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-2-[(5-(ethyl[5-(furan-3-yl)-2-methylphenyl]amino)-5-oxopentanoyl)amino]benzoic acid
- IUPAC
- 5-chloro-2-[[5-[N-ethyl-5-(furan-3-yl)-2-methylanilino]-5-oxopentanoyl]amino]benzoic acid
Names & synonyms
SCHEMBL1014871XJPALGJOEKUEQQ-UHFFFAOYSA-N5-chloro-2-[(5-(ethyl[5-(furan-3-yl)-2-methylphenyl]amino)-5-oxopentanoyl)amino]benzoic acid
Database identifiers
- PubChem CID
- 44251302
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 690
Related reactions
1 records
Compound notes
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