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

C13H16F2N2O2 — CID 79773802

IUPAC3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide
SMILESNc1ccc(F)c(C(=O)NCC2CCCOC2)c1F
InChIInChI=1S/C13H16F2N2O2/c14-9-3-4-10(16)12(15)11(9)13(18)17-6-8-2-1-5-19-7-8/h3-4,8H,1-2,5-7,16H2,(H,17,18)
InChIKeyDJXHAZMIYMHIGP-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.70
Rot. Bonds3

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

3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide (PubChem CID 79773802) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide
PubChem CID79773802
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide
SMILESNc1ccc(F)c(C(=O)NCC2CCCOC2)c1F
InChIInChI=1S/C13H16F2N2O2/c14-9-3-4-10(16)12(15)11(9)13(18)17-6-8-2-1-5-19-7-8/h3-4,8H,1-2,5-7,16H2,(H,17,18)
InChIKeyDJXHAZMIYMHIGP-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.70
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-(cyclohexylmethyl)-2,6-difluorobenzamide
CID 79773789
3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide
CID 79773740
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 79773461
4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81240575
3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
CID 79758259
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
CID 61217199
3-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-2,6-difluorobenzamide
CID 81041559
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
CID 79772808
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
CID 61140420

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide (CID 79773802) is 3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide is Nc1ccc(F)c(C(=O)NCC2CCCOC2)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is DJXHAZMIYMHIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-9-3-4-10(16)12(15)11(9)13(18)17-6-8-2-1-5-19-7-8/h3-4,8H,1-2,5-7,16H2,(H,17,18).
What are the key properties of 3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide?
3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 270.28 g/mol, XLogP of 1.70, 3 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-ylmethyl)benzamide is sourced from PubChem (CID 79773802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).