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

C12H15FN2O2 — CID 82726014

IUPAC5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H15FN2O2/c1-7-11(4-5-17-7)15-12(16)9-6-8(14)2-3-10(9)13/h2-3,6-7,11H,4-5,14H2,1H3,(H,15,16)
InChIKeyWFQLKOFNNFEWIT-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.32
Rot. Bonds2

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

5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82726014) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82726014
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H15FN2O2/c1-7-11(4-5-17-7)15-12(16)9-6-8(14)2-3-10(9)13/h2-3,6-7,11H,4-5,14H2,1H3,(H,15,16)
InChIKeyWFQLKOFNNFEWIT-UHFFFAOYSA-N
XLogP1.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride
CID 120648019
4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726426
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide
CID 107075822
5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82741761
3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726425
5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358647
3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
CID 82737326
4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82736650

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide (CID 82726014) is 5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1NC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is WFQLKOFNNFEWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-7-11(4-5-17-7)15-12(16)9-6-8(14)2-3-10(9)13/h2-3,6-7,11H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide?
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 238.26 g/mol, XLogP of 1.32, 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-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82726014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).