Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate
Basic information
- CAS
1566-98-9- Standard SMILES
COC(=O)c1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1- InChIKey
GUDRLKWKZBPOOQ-UHFFFAOYSA-N- Molecular formula
- C16H13F3N2O3
- Average molar mass
- 338.28 g/mol
- Monoisotopic mass
- 338.08782677
Overview
See also: Methyl 2-(3-(trifluoromethyl)phenylureido)benzoate (annotation moved to).
Names & identifiers
- Preferred name
- Methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate
- IUPAC
- methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoate
- English name
- Benzoic acid,2-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-, methyl ester
- Molecular formula
- C16H13F3N2O3
- Molecular weight
- 338.28
Names & synonyms
1566-98-9methyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoateBenzoic acid, 2-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-, methyl esterNSC204016SCHEMBL16127721DTXSID00308432GUDRLKWKZBPOOQ-UHFFFAOYSA-NMFCD00028137AKOS017343572NSC-204016ST50552758methyl 2-({[3-(trifluoromethyl)anilino]carbonyl}amino)benzoate
Show more names
METHYL 2-(3-(TRIFLUOROMETHYL)PHENYLUREIDO)BENZOATEBenzoic acid,2-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-, methyl ester
methyl 2-({[3-(trifluoromethyl)phenyl]amino}carbonylamino)benzoateMETHYL 2-({[3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}AMINO)BENZOATE
Database identifiers
- CAS
1566-98-9- PubChem CID
- 306338
- DTXSID
DTXSID00308432
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Melting point
- 165 · 165-166 °C
- Boiling point
- 342.524 · 342.524±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.711 · 13.711±0.70(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H413
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H413
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…