3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide

C12H14F2N2O2 — CID 79773740

IUPAC3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide
SMILESNc1ccc(F)c(C(=O)NC2CCCOC2)c1F
InChIInChI=1S/C12H14F2N2O2/c13-8-3-4-9(15)11(14)10(8)12(17)16-7-2-1-5-18-6-7/h3-4,7H,1-2,5-6,15H2,(H,16,17)
InChIKeyOVORQOBCNOOGDJ-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.46
Rot. Bonds2

About 3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide

3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide (PubChem CID 79773740) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide
PubChem CID79773740
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide
SMILESNc1ccc(F)c(C(=O)NC2CCCOC2)c1F
InChIInChI=1S/C12H14F2N2O2/c13-8-3-4-9(15)11(14)10(8)12(17)16-7-2-1-5-18-6-7/h3-4,7H,1-2,5-6,15H2,(H,16,17)
InChIKeyOVORQOBCNOOGDJ-UHFFFAOYSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.46
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

3-amino-N-cyclopentyl-2,6-difluorobenzamide
CID 79768023
2,6-difluoro-3-nitro-N-(oxan-3-yl)benzamide
CID 103740066
3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide
CID 79773802
2-bromo-6-fluoro-N-[(3S)-oxan-3-yl]benzamide
CID 97221363
3-amino-N-(1,1-dioxothian-3-yl)-2,6-difluorobenzamide
CID 79773530
3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide
CID 83027170
3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide
CID 79773246
2,6-difluoro-3-nitro-N-(oxolan-3-yl)benzamide
CID 113322130
3-amino-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 79772868
4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
CID 63362160
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide
CID 79773809

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide (CID 79773740) is 3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide is Nc1ccc(F)c(C(=O)NC2CCCOC2)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide?
The InChIKey is OVORQOBCNOOGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-8-3-4-9(15)11(14)10(8)12(17)16-7-2-1-5-18-6-7/h3-4,7H,1-2,5-6,15H2,(H,16,17).
What are the key properties of 3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide?
3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide has a molecular weight of 256.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide is sourced from PubChem (CID 79773740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).