3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide

C21H11F6N3O4 — CID 46228951

IUPAC3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
SMILESO=C(Nc1cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c(F)c1F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
InChIKeyVVYFYJMXONNWBA-UHFFFAOYSA-N
MW483.32 g/mol
LogP5.22
Rot. Bonds5

About 3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide

3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide (PubChem CID 46228951) has the molecular formula C21H11F6N3O4 and a molecular weight of 483.32 g/mol. Its IUPAC name is 3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide.

Molecular Properties

Compound Name3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
PubChem CID46228951
Molecular FormulaC21H11F6N3O4
Molecular Weight483.32 g/mol
Exact Mass483.07
IUPAC Name3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
SMILESO=C(Nc1cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c(F)c1F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
InChIKeyVVYFYJMXONNWBA-UHFFFAOYSA-N
XLogP5.22
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.32
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
The IUPAC name of 3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide (CID 46228951) is 3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide.
What is the SMILES notation for 3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
The canonical SMILES for 3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide is O=C(Nc1cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c(F)c1F)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
The InChIKey is VVYFYJMXONNWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32).
What are the key properties of 3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide has a molecular weight of 483.32 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide is sourced from PubChem (CID 46228951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).