2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide

C16H14F3NO2 — CID 38032669

IUPAC2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(C)c1
InChIInChI=1S/C16H14F3NO2/c1-10-6-7-14(11(2)8-10)15(21)20-12-4-3-5-13(9-12)22-16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyKRLNIWFTTDABTJ-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.45
Rot. Bonds3

About 2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide

2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 38032669) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID38032669
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(C)c1
InChIInChI=1S/C16H14F3NO2/c1-10-6-7-14(11(2)8-10)15(21)20-12-4-3-5-13(9-12)22-16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyKRLNIWFTTDABTJ-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 59014806
2-hydroxy-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38204734
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38033064
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide
CID 79782174
2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 38258538
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53488762
5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034888
5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115477

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 38032669) is 2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is KRLNIWFTTDABTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-10-6-7-14(11(2)8-10)15(21)20-12-4-3-5-13(9-12)22-16(17,18)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide?
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 309.29 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 38032669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).