[3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C15H18F2N2O2 — CID 63770035

IUPAC[3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCNc1c(F)cc(C(=O)N2C3CCC2CC(O)C3)cc1F
InChIInChI=1S/C15H18F2N2O2/c1-18-14-12(16)4-8(5-13(14)17)15(21)19-9-2-3-10(19)7-11(20)6-9/h4-5,9-11,18,20H,2-3,6-7H2,1H3
InChIKeyGCPZKJJXENETSZ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.13
Rot. Bonds2

About [3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

[3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63770035) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is [3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63770035
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name[3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCNc1c(F)cc(C(=O)N2C3CCC2CC(O)C3)cc1F
InChIInChI=1S/C15H18F2N2O2/c1-18-14-12(16)4-8(5-13(14)17)15(21)19-9-2-3-10(19)7-11(20)6-9/h4-5,9-11,18,20H,2-3,6-7H2,1H3
InChIKeyGCPZKJJXENETSZ-UHFFFAOYSA-N
XLogP2.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63770035) is [3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is CNc1c(F)cc(C(=O)N2C3CCC2CC(O)C3)cc1F.
What is the InChIKey of [3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is GCPZKJJXENETSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-18-14-12(16)4-8(5-13(14)17)15(21)19-9-2-3-10(19)7-11(20)6-9/h4-5,9-11,18,20H,2-3,6-7H2,1H3.
What are the key properties of [3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
[3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 296.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63770035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).