5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide

C12H14FN3O2 — CID 55033252

IUPAC5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
SMILESNc1ccc(F)c(C(=O)NC2CCCNC2=O)c1
InChIInChI=1S/C12H14FN3O2/c13-9-4-3-7(14)6-8(9)11(17)16-10-2-1-5-15-12(10)18/h3-4,6,10H,1-2,5,14H2,(H,15,18)(H,16,17)
InChIKeyCFWFCQJXUCKUAF-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.42
Rot. Bonds2

About 5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide

5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide (PubChem CID 55033252) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
PubChem CID55033252
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
SMILESNc1ccc(F)c(C(=O)NC2CCCNC2=O)c1
InChIInChI=1S/C12H14FN3O2/c13-9-4-3-7(14)6-8(9)11(17)16-10-2-1-5-15-12(10)18/h3-4,6,10H,1-2,5,14H2,(H,15,18)(H,16,17)
InChIKeyCFWFCQJXUCKUAF-UHFFFAOYSA-N
XLogP0.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide (CID 55033252) is 5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide is Nc1ccc(F)c(C(=O)NC2CCCNC2=O)c1.
What is the InChIKey of 5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide?
The InChIKey is CFWFCQJXUCKUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-9-4-3-7(14)6-8(9)11(17)16-10-2-1-5-15-12(10)18/h3-4,6,10H,1-2,5,14H2,(H,15,18)(H,16,17).
What are the key properties of 5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide?
5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide has a molecular weight of 251.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 55033252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).