5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide

C13H17FN2O2 — CID 114095245

IUPAC5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide
SMILESCC1OCCC1(C)NC(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H17FN2O2/c1-8-13(2,5-6-18-8)16-12(17)10-7-9(15)3-4-11(10)14/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyHKPPMJNQPKUGEE-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.71
Rot. Bonds2

About 5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide

5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide (PubChem CID 114095245) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide
PubChem CID114095245
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide
SMILESCC1OCCC1(C)NC(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H17FN2O2/c1-8-13(2,5-6-18-8)16-12(17)10-7-9(15)3-4-11(10)14/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyHKPPMJNQPKUGEE-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
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-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide?
The IUPAC name of 5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide (CID 114095245) is 5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide is CC1OCCC1(C)NC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide?
The InChIKey is HKPPMJNQPKUGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8-13(2,5-6-18-8)16-12(17)10-7-9(15)3-4-11(10)14/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide?
5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide has a molecular weight of 252.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 114095245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).