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

C21H13F4N3O4 — CID 46228589

IUPAC4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C21H13F4N3O4/c22-14-8-7-11(9-17(14)32-21(23,24)25)19(29)26-12-3-1-4-13(10-12)31-16-6-2-5-15-18(16)28-20(30)27-15/h1-10H,(H,26,29)(H2,27,28,30)
InChIKeyAEMLUZWJQNMRFC-UHFFFAOYSA-N
MW447.34 g/mol
LogP4.94
Rot. Bonds5

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

4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 46228589) has the molecular formula C21H13F4N3O4 and a molecular weight of 447.34 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
PubChem CID46228589
Molecular FormulaC21H13F4N3O4
Molecular Weight447.34 g/mol
Exact Mass447.08
IUPAC Name4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C21H13F4N3O4/c22-14-8-7-11(9-17(14)32-21(23,24)25)19(29)26-12-3-1-4-13(10-12)31-16-6-2-5-15-18(16)28-20(30)27-15/h1-10H,(H,26,29)(H2,27,28,30)
InChIKeyAEMLUZWJQNMRFC-UHFFFAOYSA-N
XLogP4.94
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of 4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide (CID 46228589) is 4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for 4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide is O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1ccc(F)c(OC(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is AEMLUZWJQNMRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3O4/c22-14-8-7-11(9-17(14)32-21(23,24)25)19(29)26-12-3-1-4-13(10-12)31-16-6-2-5-15-18(16)28-20(30)27-15/h1-10H,(H,26,29)(H2,27,28,30).
What are the key properties of 4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 447.34 g/mol, XLogP of 4.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 46228589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).