N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C19H24FNO3 — CID 71876169

IUPACN-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(C1CC2CCC1O2)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C19H24FNO3/c20-14-4-1-3-13(9-14)11-21(12-16-5-2-8-23-16)19(22)17-10-15-6-7-18(17)24-15/h1,3-4,9,15-18H,2,5-8,10-12H2
InChIKeyKGUAYWABIHVLHD-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.90
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 71876169) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID71876169
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC NameN-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(C1CC2CCC1O2)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C19H24FNO3/c20-14-4-1-3-13(9-14)11-21(12-16-5-2-8-23-16)19(22)17-10-15-6-7-18(17)24-15/h1,3-4,9,15-18H,2,5-8,10-12H2
InChIKeyKGUAYWABIHVLHD-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 71876169) is N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(C1CC2CCC1O2)N(Cc1cccc(F)c1)CC1CCCO1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KGUAYWABIHVLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c20-14-4-1-3-13(9-14)11-21(12-16-5-2-8-23-16)19(22)17-10-15-6-7-18(17)24-15/h1,3-4,9,15-18H,2,5-8,10-12H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 71876169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).