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

C12H15FN2O2 — CID 113481862

IUPAC4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2ccc(N)cc2F)CCOC1
InChIInChI=1S/C12H15FN2O2/c1-12(4-5-17-7-12)15-11(16)9-3-2-8(14)6-10(9)13/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyWWQBYIOXQCYIGO-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.32
Rot. Bonds2

About 4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide

4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide (PubChem CID 113481862) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
PubChem CID113481862
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2ccc(N)cc2F)CCOC1
InChIInChI=1S/C12H15FN2O2/c1-12(4-5-17-7-12)15-11(16)9-3-2-8(14)6-10(9)13/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyWWQBYIOXQCYIGO-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide?
The IUPAC name of 4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide (CID 113481862) is 4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide is CC1(NC(=O)c2ccc(N)cc2F)CCOC1.
What is the InChIKey of 4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide?
The InChIKey is WWQBYIOXQCYIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-12(4-5-17-7-12)15-11(16)9-3-2-8(14)6-10(9)13/h2-3,6H,4-5,7,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide?
4-amino-2-fluoro-N-(3-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 4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 113481862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).