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

C15H8F7NO2 — CID 18208238

IUPAC2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C15H8F7NO2/c16-10-5-9(11(17)13(19)12(10)18)14(24)23-7-1-3-8(4-2-7)25-6-15(20,21)22/h1-5H,6H2,(H,23,24)
InChIKeyABDQTPKWXFNTIR-UHFFFAOYSA-N
MW367.22 g/mol
LogP4.44
Rot. Bonds4

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

2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 18208238) has the molecular formula C15H8F7NO2 and a molecular weight of 367.22 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID18208238
Molecular FormulaC15H8F7NO2
Molecular Weight367.22 g/mol
Exact Mass367.04
IUPAC Name2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C15H8F7NO2/c16-10-5-9(11(17)13(19)12(10)18)14(24)23-7-1-3-8(4-2-7)25-6-15(20,21)22/h1-5H,6H2,(H,23,24)
InChIKeyABDQTPKWXFNTIR-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
CID 3448469
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 46421851
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 88891604
N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 170144431
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4542565
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide
CID 17468094
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-benzothiazole-6-carboxamide
CID 17481716
N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 7960826

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 18208238) is 2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is ABDQTPKWXFNTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F7NO2/c16-10-5-9(11(17)13(19)12(10)18)14(24)23-7-1-3-8(4-2-7)25-6-15(20,21)22/h1-5H,6H2,(H,23,24).
What are the key properties of 2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 367.22 g/mol, XLogP of 4.44, 4 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-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 18208238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).