6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C15H18F2N2O2 — CID 114945100

IUPAC6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O2/c1-14(2)12-9(5-6-21-12)15(14,18)13(20)19-8-3-4-10(16)11(17)7-8/h3-4,7,9,12H,5-6,18H2,1-2H3,(H,19,20)
InChIKeyJMPXEHHRFKUGOT-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.05
Rot. Bonds2

About 6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945100) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945100
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O2/c1-14(2)12-9(5-6-21-12)15(14,18)13(20)19-8-3-4-10(16)11(17)7-8/h3-4,7,9,12H,5-6,18H2,1-2H3,(H,19,20)
InChIKeyJMPXEHHRFKUGOT-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945100) is 6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC1(C)C2OCCC2C1(N)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is JMPXEHHRFKUGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-14(2)12-9(5-6-21-12)15(14,18)13(20)19-8-3-4-10(16)11(17)7-8/h3-4,7,9,12H,5-6,18H2,1-2H3,(H,19,20).
What are the key properties of 6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3,4-difluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).