3-amino-4-fluoro-N-morpholin-4-ylbenzamide

C11H14FN3O2 — CID 83012890

IUPAC3-amino-4-fluoro-N-morpholin-4-ylbenzamide
SMILESNc1cc(C(=O)NN2CCOCC2)ccc1F
InChIInChI=1S/C11H14FN3O2/c12-9-2-1-8(7-10(9)13)11(16)14-15-3-5-17-6-4-15/h1-2,7H,3-6,13H2,(H,14,16)
InChIKeyVNHYGAXBWNSKFW-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.38
Rot. Bonds2

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

3-amino-4-fluoro-N-morpholin-4-ylbenzamide (PubChem CID 83012890) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-morpholin-4-ylbenzamide
PubChem CID83012890
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name3-amino-4-fluoro-N-morpholin-4-ylbenzamide
SMILESNc1cc(C(=O)NN2CCOCC2)ccc1F
InChIInChI=1S/C11H14FN3O2/c12-9-2-1-8(7-10(9)13)11(16)14-15-3-5-17-6-4-15/h1-2,7H,3-6,13H2,(H,14,16)
InChIKeyVNHYGAXBWNSKFW-UHFFFAOYSA-N
XLogP0.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-morpholin-4-ylbenzamide?
The IUPAC name of 3-amino-4-fluoro-N-morpholin-4-ylbenzamide (CID 83012890) is 3-amino-4-fluoro-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-morpholin-4-ylbenzamide?
The canonical SMILES for 3-amino-4-fluoro-N-morpholin-4-ylbenzamide is Nc1cc(C(=O)NN2CCOCC2)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-morpholin-4-ylbenzamide?
The InChIKey is VNHYGAXBWNSKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-9-2-1-8(7-10(9)13)11(16)14-15-3-5-17-6-4-15/h1-2,7H,3-6,13H2,(H,14,16).
What are the key properties of 3-amino-4-fluoro-N-morpholin-4-ylbenzamide?
3-amino-4-fluoro-N-morpholin-4-ylbenzamide has a molecular weight of 239.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 83012890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).