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

C24H21FN4O4 — CID 46228945

IUPAC3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C24H21FN4O4/c25-16-11-15(12-18(13-16)29-7-9-32-10-8-29)23(30)26-17-3-1-4-19(14-17)33-21-6-2-5-20-22(21)28-24(31)27-20/h1-6,11-14H,7-10H2,(H,26,30)(H2,27,28,31)
InChIKeyOUAOHMKOQJWVGZ-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.88
Rot. Bonds5

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

3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide (PubChem CID 46228945) has the molecular formula C24H21FN4O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is 3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
PubChem CID46228945
Molecular FormulaC24H21FN4O4
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC Name3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C24H21FN4O4/c25-16-11-15(12-18(13-16)29-7-9-32-10-8-29)23(30)26-17-3-1-4-19(14-17)33-21-6-2-5-20-22(21)28-24(31)27-20/h1-6,11-14H,7-10H2,(H,26,30)(H2,27,28,31)
InChIKeyOUAOHMKOQJWVGZ-UHFFFAOYSA-N
XLogP3.88
TPSA99.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
The IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide (CID 46228945) is 3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
The canonical SMILES for 3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide is O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
The InChIKey is OUAOHMKOQJWVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4/c25-16-11-15(12-18(13-16)29-7-9-32-10-8-29)23(30)26-17-3-1-4-19(14-17)33-21-6-2-5-20-22(21)28-24(31)27-20/h1-6,11-14H,7-10H2,(H,26,30)(H2,27,28,31).
What are the key properties of 3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide has a molecular weight of 448.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-morpholin-4-yl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide is sourced from PubChem (CID 46228945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).