N-[[(3,5-dichlorophenyl)amino]carbonyl]glycine
Basic information
- CAS
62584-33-2- Standard SMILES
O=C(O)CNC(=O)Nc1cc(Cl)cc(Cl)c1- InChIKey
LUTUCNIKEYNGLK-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2N2O3
- Average molar mass
- 263.07 g/mol
- Monoisotopic mass
- 261.99119748
Names & identifiers
- Preferred name
- N-[[(3,5-dichlorophenyl)amino]carbonyl]glycine
- IUPAC
- 2-[(3,5-dichlorophenyl)carbamoylamino]acetic acid
- English name
- N-[[(3,5-dichlorophenyl)amino]carbonyl]glycine
- Molecular formula
- C9H8Cl2N2O3
- Molecular weight
- 263.08
Names & synonyms
62584-33-2N-[[(3,5-DICHLOROPHENYL)AMINO]CARBONYL]GLYCINEEINECS 263-612-9N-(((3,5-Dichlorophenyl)amino)carbonyl)glycineRefChem:161356263-612-9N'-(3,5-Dichlorophenyl)ureidoacetic acidSCHEMBL11606641DTXSID109781603-(3,5-dichlorophenyl)-ureidoacetic acidDB-361255NS00055661
Show more names
(3,5-dichlorophenyl)ureidoformate((3,5-Dichlorophenyl)carbamoyl)glycine3-(3,5-dichloro-phenyl)-ureidoacetic acid
2-[3-(3,5-dichlorophenyl)-ureido]-acetic acidGlycine, N-[[(3,5-dichlorophenyl)amino]carbonyl]-([(3,5-Dichloroanilino)carbonyl]amino)acetic acid #N-[(3,5-Dichloroanilino)(hydroxy)methylidene]glycine
Database identifiers
- CAS
62584-33-2- PubChem CID
- 595293
- DTXSID
DTXSID10978160- EC Number
- 263-612-9
- Nikkaji
- J24.958K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 418.8 · 418.8±45.0 °C(Predicted)
- Density
- 1.581 · 1.581±0.06 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.10(Predicted)
Related reactions
4 records
Compound notes
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