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

C15H6F7NO2 — CID 88891558

IUPAC2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=Cc1c(F)c(F)c(F)c(F)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H6F7NO2/c16-10-8(5-24)9(11(17)13(19)12(10)18)14(25)23-7-3-1-2-6(4-7)15(20,21)22/h1-5H,(H,23,25)
InChIKeyHAUACAKWOVWSOW-UHFFFAOYSA-N
MW365.20 g/mol
LogP4.33
Rot. Bonds3

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

2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 88891558) has the molecular formula C15H6F7NO2 and a molecular weight of 365.20 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID88891558
Molecular FormulaC15H6F7NO2
Molecular Weight365.20 g/mol
Exact Mass365.03
IUPAC Name2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=Cc1c(F)c(F)c(F)c(F)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H6F7NO2/c16-10-8(5-24)9(11(17)13(19)12(10)18)14(25)23-7-3-1-2-6(4-7)15(20,21)22/h1-5H,(H,23,25)
InChIKeyHAUACAKWOVWSOW-UHFFFAOYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4542565
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
CID 16788394
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 88891558) is 2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide is O=Cc1c(F)c(F)c(F)c(F)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HAUACAKWOVWSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F7NO2/c16-10-8(5-24)9(11(17)13(19)12(10)18)14(25)23-7-3-1-2-6(4-7)15(20,21)22/h1-5H,(H,23,25).
What are the key properties of 2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide?
2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 365.20 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 88891558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).