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

C13H17FN2O2 — CID 103296839

IUPAC5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide
SMILESCc1cc(N)cc(C(=O)NC2(C)CCOC2)c1F
InChIInChI=1S/C13H17FN2O2/c1-8-5-9(15)6-10(11(8)14)12(17)16-13(2)3-4-18-7-13/h5-6H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyJDQYOOZXBDWACF-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.63
Rot. Bonds2

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

5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide (PubChem CID 103296839) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide
PubChem CID103296839
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide
SMILESCc1cc(N)cc(C(=O)NC2(C)CCOC2)c1F
InChIInChI=1S/C13H17FN2O2/c1-8-5-9(15)6-10(11(8)14)12(17)16-13(2)3-4-18-7-13/h5-6H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyJDQYOOZXBDWACF-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide (CID 103296839) is 5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide is Cc1cc(N)cc(C(=O)NC2(C)CCOC2)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide?
The InChIKey is JDQYOOZXBDWACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8-5-9(15)6-10(11(8)14)12(17)16-13(2)3-4-18-7-13/h5-6H,3-4,7,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide?
5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 103296839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).