3-fluoro-N-morpholin-4-ylbenzamide

C11H13FN2O2 — CID 870973

IUPAC3-fluoro-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C11H13FN2O2/c12-10-3-1-2-9(8-10)11(15)13-14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15)
InChIKeyFXBACTREYXEJMK-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.80
Rot. Bonds2

About 3-fluoro-N-morpholin-4-ylbenzamide

3-fluoro-N-morpholin-4-ylbenzamide (PubChem CID 870973) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-fluoro-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-morpholin-4-ylbenzamide
PubChem CID870973
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name3-fluoro-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C11H13FN2O2/c12-10-3-1-2-9(8-10)11(15)13-14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15)
InChIKeyFXBACTREYXEJMK-UHFFFAOYSA-N
XLogP0.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-morpholin-4-ylbenzamide (CID 870973) is 3-fluoro-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-morpholin-4-ylbenzamide is O=C(NN1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-morpholin-4-ylbenzamide?
The InChIKey is FXBACTREYXEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-10-3-1-2-9(8-10)11(15)13-14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15).
What are the key properties of 3-fluoro-N-morpholin-4-ylbenzamide?
3-fluoro-N-morpholin-4-ylbenzamide has a molecular weight of 224.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 870973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).