3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide

C14H18F2N2O2 — CID 83027170

IUPAC3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide
SMILESCC1(C)CC(NC(=O)c2c(F)ccc(N)c2F)CCO1
InChIInChI=1S/C14H18F2N2O2/c1-14(2)7-8(5-6-20-14)18-13(19)11-9(15)3-4-10(17)12(11)16/h3-4,8H,5-7,17H2,1-2H3,(H,18,19)
InChIKeyGMPJLRRCPLWQFW-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.23
Rot. Bonds2

About 3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide

3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide (PubChem CID 83027170) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide
PubChem CID83027170
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide
SMILESCC1(C)CC(NC(=O)c2c(F)ccc(N)c2F)CCO1
InChIInChI=1S/C14H18F2N2O2/c1-14(2)7-8(5-6-20-14)18-13(19)11-9(15)3-4-10(17)12(11)16/h3-4,8H,5-7,17H2,1-2H3,(H,18,19)
InChIKeyGMPJLRRCPLWQFW-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.23
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 3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide (CID 83027170) is 3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide is CC1(C)CC(NC(=O)c2c(F)ccc(N)c2F)CCO1.
What is the InChIKey of 3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide?
The InChIKey is GMPJLRRCPLWQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-14(2)7-8(5-6-20-14)18-13(19)11-9(15)3-4-10(17)12(11)16/h3-4,8H,5-7,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide?
3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide has a molecular weight of 284.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 83027170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).