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

C14H6F7NO — CID 4542565

IUPAC2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C14H6F7NO/c15-9-5-8(10(16)12(18)11(9)17)13(23)22-7-3-1-2-6(4-7)14(19,20)21/h1-5H,(H,22,23)
InChIKeyLMHRCVNOTHSPSY-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.51
Rot. Bonds2

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

2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 4542565) has the molecular formula C14H6F7NO and a molecular weight of 337.19 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID4542565
Molecular FormulaC14H6F7NO
Molecular Weight337.19 g/mol
Exact Mass337.03
IUPAC Name2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C14H6F7NO/c15-9-5-8(10(16)12(18)11(9)17)13(23)22-7-3-1-2-6(4-7)14(19,20)21/h1-5H,(H,22,23)
InChIKeyLMHRCVNOTHSPSY-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 833847
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 170144431
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 88891558
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide (CID 4542565) is 2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is LMHRCVNOTHSPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F7NO/c15-9-5-8(10(16)12(18)11(9)17)13(23)22-7-3-1-2-6(4-7)14(19,20)21/h1-5H,(H,22,23).
What are the key properties of 2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide?
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 337.19 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 4542565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).