N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

C18H20FNO3 — CID 73225772

IUPACN-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
SMILESCCCN(C(=O)C1C2CC3OC(=O)C1C3C2)c1ccccc1F
InChIInChI=1S/C18H20FNO3/c1-2-7-20(13-6-4-3-5-12(13)19)17(21)15-10-8-11-14(9-10)23-18(22)16(11)15/h3-6,10-11,14-16H,2,7-9H2,1H3
InChIKeyFXMSNSUWSDJUSD-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.77
Rot. Bonds4

About N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide (PubChem CID 73225772) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
PubChem CID73225772
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
SMILESCCCN(C(=O)C1C2CC3OC(=O)C1C3C2)c1ccccc1F
InChIInChI=1S/C18H20FNO3/c1-2-7-20(13-6-4-3-5-12(13)19)17(21)15-10-8-11-14(9-10)23-18(22)16(11)15/h3-6,10-11,14-16H,2,7-9H2,1H3
InChIKeyFXMSNSUWSDJUSD-UHFFFAOYSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide (CID 73225772) is N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is CCCN(C(=O)C1C2CC3OC(=O)C1C3C2)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The InChIKey is FXMSNSUWSDJUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-2-7-20(13-6-4-3-5-12(13)19)17(21)15-10-8-11-14(9-10)23-18(22)16(11)15/h3-6,10-11,14-16H,2,7-9H2,1H3.
What are the key properties of N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is sourced from PubChem (CID 73225772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).