2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

C15H8F7NO — CID 170317070

IUPAC2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1c(F)c(F)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1F
InChIInChI=1S/C15H8F7NO/c1-6-10(16)12(18)9(13(19)11(6)17)14(24)23-8-4-2-3-7(5-8)15(20,21)22/h2-5H,1H3,(H,23,24)
InChIKeyGTZNWJJBBMWADA-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.82
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 170317070) has the molecular formula C15H8F7NO and a molecular weight of 351.22 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID170317070
Molecular FormulaC15H8F7NO
Molecular Weight351.22 g/mol
Exact Mass351.05
IUPAC Name2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1c(F)c(F)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1F
InChIInChI=1S/C15H8F7NO/c1-6-10(16)12(18)9(13(19)11(6)17)14(24)23-8-4-2-3-7(5-8)15(20,21)22/h2-5H,1H3,(H,23,24)
InChIKeyGTZNWJJBBMWADA-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 88891558
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 4764229
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4542565
3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1486828
3-tert-butyl-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110423356
4-hydroxy-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 54713541
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 170317070) is 2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1c(F)c(F)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GTZNWJJBBMWADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F7NO/c1-6-10(16)12(18)9(13(19)11(6)17)14(24)23-8-4-2-3-7(5-8)15(20,21)22/h2-5H,1H3,(H,23,24).
What are the key properties of 2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 351.22 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 170317070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).