Basic information
- CAS
1939-24-8- Standard SMILES
O=C(Nc1ccccc1C(F)(F)F)c1ccccc1- InChIKey
MDGRCZMZIVXYDB-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO
- Average molar mass
- 265.23 g/mol
- Monoisotopic mass
- 265.07144843
Names & identifiers
- Preferred name
- 2'-Trifluoromethylbenzanilide
- IUPAC
- N-[2-(trifluoromethyl)phenyl]benzamide
- English name
- 2'-Trifluoromethylbenzanilide
- Molecular formula
- C14H10F3NO
- Molecular weight
- 265.23
Names & synonyms
2'-TrifluoromethylbenzanilideN-[2-(Trifluoromethyl)phenyl]benzamideBenzamide,N-[3-(trifluoromethyl)phenyl]-phenyl-N-[2-(trifluoromethyl)phenyl]carboxamideSCHEMBL6170575CHEMBL5493214SCHEMBL30008296DTXSID201282124SBB008278N-(2-trifluoromethylphenyl)-benzamideAKOS002984840NSC 131581
Show more names
TIMTEC-BB SBB0082782-TrifluoromethylanilinebenzamideBenzamide, N-[2-(trifluoromethyl)phenyl]-
NCGC00285499-01N-[2-(Trifluoromethyl)phenyl]benzamide #ST50320281H82277AB01284921-01Z28167743
Database identifiers
- CAS
1939-24-8、2946-71-6- PubChem CID
- 137262
- DTXSID
DTXSID201282124- ChEMBL
CHEMBL5493214- Nikkaji
- J982.685H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 260.4 · 260.4±40.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- pka
- 12.75 · 12.75±0.70(Predicted)
Chemistry & industry
Suppliers3 total
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
4 records
Compound notes
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