3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide

C11H13F2N3O2 — CID 107121344

IUPAC3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide
SMILESNc1cc(F)cc(C(=O)NN2CCOCC2)c1F
InChIInChI=1S/C11H13F2N3O2/c12-7-5-8(10(13)9(14)6-7)11(17)15-16-1-3-18-4-2-16/h5-6H,1-4,14H2,(H,15,17)
InChIKeyYJXSHSWHEJKGRG-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.52
Rot. Bonds2

About 3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide

3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide (PubChem CID 107121344) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide
PubChem CID107121344
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide
SMILESNc1cc(F)cc(C(=O)NN2CCOCC2)c1F
InChIInChI=1S/C11H13F2N3O2/c12-7-5-8(10(13)9(14)6-7)11(17)15-16-1-3-18-4-2-16/h5-6H,1-4,14H2,(H,15,17)
InChIKeyYJXSHSWHEJKGRG-UHFFFAOYSA-N
XLogP0.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.52
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-2,5-difluoro-N-morpholin-4-ylbenzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide (CID 107121344) is 3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide is Nc1cc(F)cc(C(=O)NN2CCOCC2)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide?
The InChIKey is YJXSHSWHEJKGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c12-7-5-8(10(13)9(14)6-7)11(17)15-16-1-3-18-4-2-16/h5-6H,1-4,14H2,(H,15,17).
What are the key properties of 3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide?
3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide has a molecular weight of 257.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 107121344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).