5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide

C13H17FN2O2 — CID 82741761

IUPAC5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1N(C)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H17FN2O2/c1-8-12(5-6-18-8)16(2)13(17)10-7-9(15)3-4-11(10)14/h3-4,7-8,12H,5-6,15H2,1-2H3
InChIKeyAUBYWIRNHCUECH-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.66
Rot. Bonds2

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

5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82741761) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82741761
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1N(C)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H17FN2O2/c1-8-12(5-6-18-8)16(2)13(17)10-7-9(15)3-4-11(10)14/h3-4,7-8,12H,5-6,15H2,1-2H3
InChIKeyAUBYWIRNHCUECH-UHFFFAOYSA-N
XLogP1.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide (CID 82741761) is 5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1N(C)C(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is AUBYWIRNHCUECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8-12(5-6-18-8)16(2)13(17)10-7-9(15)3-4-11(10)14/h3-4,7-8,12H,5-6,15H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82741761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).