2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide

C18H25FN2O2 — CID 154617660

IUPAC2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESCN1C2CCC1CC(NC(=O)C(C)(CO)c1ccc(F)cc1)C2
InChIInChI=1S/C18H25FN2O2/c1-18(11-22,12-3-5-13(19)6-4-12)17(23)20-14-9-15-7-8-16(10-14)21(15)2/h3-6,14-16,22H,7-11H2,1-2H3,(H,20,23)
InChIKeyFJNBQVKELPRCNA-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.82
Rot. Bonds4

About 2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide

2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide (PubChem CID 154617660) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
PubChem CID154617660
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESCN1C2CCC1CC(NC(=O)C(C)(CO)c1ccc(F)cc1)C2
InChIInChI=1S/C18H25FN2O2/c1-18(11-22,12-3-5-13(19)6-4-12)17(23)20-14-9-15-7-8-16(10-14)21(15)2/h3-6,14-16,22H,7-11H2,1-2H3,(H,20,23)
InChIKeyFJNBQVKELPRCNA-UHFFFAOYSA-N
XLogP1.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide?
The IUPAC name of 2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide (CID 154617660) is 2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide is CN1C2CCC1CC(NC(=O)C(C)(CO)c1ccc(F)cc1)C2.
What is the InChIKey of 2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide?
The InChIKey is FJNBQVKELPRCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-18(11-22,12-3-5-13(19)6-4-12)17(23)20-14-9-15-7-8-16(10-14)21(15)2/h3-6,14-16,22H,7-11H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide?
2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide has a molecular weight of 320.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-hydroxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide is sourced from PubChem (CID 154617660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).