Basic information
- Standard SMILES
C#CCC(NC(=O)c1c(Cl)cccc1Cl)C(=O)OC- InChIKey
FMNPNOHEOYUGCS-UHFFFAOYSA-N- Molecular formula
- C13H11Cl2NO3
- Average molar mass
- 300.13 g/mol
- Monoisotopic mass
- 299.0115986
Names & identifiers
- Preferred name
- 2-(2,6-Dichlorobenzamido)pent-4-ynoic acid methyl ester
- IUPAC
- methyl 2-[(2,6-dichlorobenzoyl)amino]pent-4-ynoate
Names & synonyms
SCHEMBL1121092FMNPNOHEOYUGCS-UHFFFAOYSA-NDB-1341812-(2,6-dichlorobenzamido)pent-4-ynoic acid methyl ester2-[(2,6-Dichlorobenzoyl)amino]-4-pentynoic acid methyl ester350673-87-9
Database identifiers
- PubChem CID
- 20610296
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 381
Related reactions
5 records
Compound notes
Loading…