N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C18H24FNO2 — CID 86778420

IUPACN-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CC2CCC1O2)c1cccc(F)c1
InChIInChI=1S/C18H24FNO2/c1-18(2,3)16(11-5-4-6-12(19)9-11)20-17(21)14-10-13-7-8-15(14)22-13/h4-6,9,13-16H,7-8,10H2,1-3H3,(H,20,21)
InChIKeyPQRZIIUDGKURFB-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.60
Rot. Bonds3

About N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 86778420) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID86778420
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC NameN-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CC2CCC1O2)c1cccc(F)c1
InChIInChI=1S/C18H24FNO2/c1-18(2,3)16(11-5-4-6-12(19)9-11)20-17(21)14-10-13-7-8-15(14)22-13/h4-6,9,13-16H,7-8,10H2,1-3H3,(H,20,21)
InChIKeyPQRZIIUDGKURFB-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 86778420) is N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is CC(C)(C)C(NC(=O)C1CC2CCC1O2)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PQRZIIUDGKURFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-18(2,3)16(11-5-4-6-12(19)9-11)20-17(21)14-10-13-7-8-15(14)22-13/h4-6,9,13-16H,7-8,10H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 305.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 86778420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).