(4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C14H17FN2O2 — CID 55242003

IUPAC(4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1ccc(C(=O)N2C3CCC2CC(O)C3)cc1F
InChIInChI=1S/C14H17FN2O2/c15-12-5-8(1-4-13(12)16)14(19)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7,16H2
InChIKeyMGZYKQPVCCNHBG-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.54
Rot. Bonds1

About (4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 55242003) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID55242003
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1ccc(C(=O)N2C3CCC2CC(O)C3)cc1F
InChIInChI=1S/C14H17FN2O2/c15-12-5-8(1-4-13(12)16)14(19)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7,16H2
InChIKeyMGZYKQPVCCNHBG-UHFFFAOYSA-N
XLogP1.54
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 55242003) is (4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is Nc1ccc(C(=O)N2C3CCC2CC(O)C3)cc1F.
What is the InChIKey of (4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is MGZYKQPVCCNHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-12-5-8(1-4-13(12)16)14(19)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7,16H2.
What are the key properties of (4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 264.30 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 55242003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).