4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide

C16H14F3NO — CID 89450250

IUPAC4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide
SMILESCCc1ccc(-c2ccc(C(N)=O)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c1-2-10-3-8-13(14(9-10)16(17,18)19)11-4-6-12(7-5-11)15(20)21/h3-9H,2H2,1H3,(H2,20,21)
InChIKeyDRSUGBLWRGAROJ-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.03
Rot. Bonds3

About 4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide

4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 89450250) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide
PubChem CID89450250
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide
SMILESCCc1ccc(-c2ccc(C(N)=O)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c1-2-10-3-8-13(14(9-10)16(17,18)19)11-4-6-12(7-5-11)15(20)21/h3-9H,2H2,1H3,(H2,20,21)
InChIKeyDRSUGBLWRGAROJ-UHFFFAOYSA-N
XLogP4.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-ethylphenyl)benzamide
CID 53425878
ethyl 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]benzoate
CID 119013664
4-(3-ethylphenyl)benzamide
CID 54454087
1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 71048144
2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate
CID 152563260
(Z)-but-2-ene;4-ethylbenzamide
CID 143666599
4-(2-ethylphenyl)benzamide
CID 69080578
1-[4-phenyl-3-(trifluoromethyl)phenyl]ethanone
CID 118411799
4-(4-ethylphenyl)-3-methylbenzoic acid
CID 53225239
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 91641393
4-[4-[4-ethyl-2-[4-(4,4,4-trifluoro-2,3-dioxobutyl)phenyl]phenyl]phenyl]-1,1,1-trifluorobutane-2,3-dione
CID 141087112

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide (CID 89450250) is 4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide is CCc1ccc(-c2ccc(C(N)=O)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DRSUGBLWRGAROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-2-10-3-8-13(14(9-10)16(17,18)19)11-4-6-12(7-5-11)15(20)21/h3-9H,2H2,1H3,(H2,20,21).
What are the key properties of 4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide?
4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 293.29 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 89450250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).