(4-Chloro-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
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Basic information
- CAS
548764-48-3- Standard SMILES
CN(C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(Cl)cc1- InChIKey
WIFDZDPBTTYIAM-UHFFFAOYSA-N- Molecular formula
- C20H14ClF3N2O3
- Average molar mass
- 422.8 g/mol
- Monoisotopic mass
- 422.0645045
Names & identifiers
- Preferred name
- (4-Chloro-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
- IUPAC
- [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-(4-chlorophenyl)-N-methylcarbamate
Names & synonyms
CHEMBL241761(4-chloro-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl esterSCHEMBL5648460DTXSID601130521BDBM50224137548764-48-34-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]phenyl N-(4-chlorophenyl)-N-methylcarbamate4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}phenyl (4-chlorophenyl)methylcarbamate4-chlor-phenyl-methyl-carbamic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl ester
Database identifiers
- CAS
548764-48-3- PubChem CID
- 10310052
- DTXSID
DTXSID601130521- ChEMBL
CHEMBL241761
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 536
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Related reactions
2 records
Compound notes
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