(5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C14H16F2N2O2 — CID 63764281

IUPAC(5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1cc(C(=O)N2C3CCC2CC(O)C3)c(F)cc1F
InChIInChI=1S/C14H16F2N2O2/c15-11-6-12(16)13(17)5-10(11)14(20)18-7-1-2-8(18)4-9(19)3-7/h5-9,19H,1-4,17H2
InChIKeyAWAYSCXQAPAJKK-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.67
Rot. Bonds1

About (5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63764281) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is (5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63764281
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name(5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1cc(C(=O)N2C3CCC2CC(O)C3)c(F)cc1F
InChIInChI=1S/C14H16F2N2O2/c15-11-6-12(16)13(17)5-10(11)14(20)18-7-1-2-8(18)4-9(19)3-7/h5-9,19H,1-4,17H2
InChIKeyAWAYSCXQAPAJKK-UHFFFAOYSA-N
XLogP1.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.67
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 (5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63764281) is (5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is Nc1cc(C(=O)N2C3CCC2CC(O)C3)c(F)cc1F.
What is the InChIKey of (5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is AWAYSCXQAPAJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c15-11-6-12(16)13(17)5-10(11)14(20)18-7-1-2-8(18)4-9(19)3-7/h5-9,19H,1-4,17H2.
What are the key properties of (5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 282.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63764281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).