N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

C14H17FN2O2 — CID 71795967

IUPACN-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1C2CCC1COC2
InChIInChI=1S/C14H17FN2O2/c15-11-3-1-10(2-4-11)7-16-14(18)17-12-5-6-13(17)9-19-8-12/h1-4,12-13H,5-9H2,(H,16,18)
InChIKeyKADSLRNLRWIROD-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.90
Rot. Bonds2

About N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 71795967) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID71795967
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1C2CCC1COC2
InChIInChI=1S/C14H17FN2O2/c15-11-3-1-10(2-4-11)7-16-14(18)17-12-5-6-13(17)9-19-8-12/h1-4,12-13H,5-9H2,(H,16,18)
InChIKeyKADSLRNLRWIROD-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 71795967) is N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NCc1ccc(F)cc1)N1C2CCC1COC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is KADSLRNLRWIROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-11-3-1-10(2-4-11)7-16-14(18)17-12-5-6-13(17)9-19-8-12/h1-4,12-13H,5-9H2,(H,16,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 71795967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).