N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C15H16ClF2NO2 — CID 71858669

IUPACN-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(C1CC2CCC1O2)N(CC(F)F)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClF2NO2/c16-9-2-1-3-10(6-9)19(8-14(17)18)15(20)12-7-11-4-5-13(12)21-11/h1-3,6,11-14H,4-5,7-8H2
InChIKeyYTGVVNMRSNJUSL-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.51
Rot. Bonds4

About N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 71858669) has the molecular formula C15H16ClF2NO2 and a molecular weight of 315.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID71858669
Molecular FormulaC15H16ClF2NO2
Molecular Weight315.75 g/mol
Exact Mass315.08
IUPAC NameN-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(C1CC2CCC1O2)N(CC(F)F)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClF2NO2/c16-9-2-1-3-10(6-9)19(8-14(17)18)15(20)12-7-11-4-5-13(12)21-11/h1-3,6,11-14H,4-5,7-8H2
InChIKeyYTGVVNMRSNJUSL-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 71858669) is N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(C1CC2CCC1O2)N(CC(F)F)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YTGVVNMRSNJUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2NO2/c16-9-2-1-3-10(6-9)19(8-14(17)18)15(20)12-7-11-4-5-13(12)21-11/h1-3,6,11-14H,4-5,7-8H2.
What are the key properties of N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 315.75 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 71858669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).