(2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone

C14H15Cl2NO2 — CID 71795897

IUPAC(2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1C2CCCC1COC2
InChIInChI=1S/C14H15Cl2NO2/c15-9-4-5-12(13(16)6-9)14(18)17-10-2-1-3-11(17)8-19-7-10/h4-6,10-11H,1-3,7-8H2
InChIKeyJJQNSHDZYIRDOH-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.39
Rot. Bonds1

About (2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone

(2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone (PubChem CID 71795897) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.18 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone
PubChem CID71795897
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.18 g/mol
Exact Mass299.05
IUPAC Name(2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1C2CCCC1COC2
InChIInChI=1S/C14H15Cl2NO2/c15-9-4-5-12(13(16)6-9)14(18)17-10-2-1-3-11(17)8-19-7-10/h4-6,10-11H,1-3,7-8H2
InChIKeyJJQNSHDZYIRDOH-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone (CID 71795897) is (2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone is O=C(c1ccc(Cl)cc1Cl)N1C2CCCC1COC2.
What is the InChIKey of (2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone?
The InChIKey is JJQNSHDZYIRDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c15-9-4-5-12(13(16)6-9)14(18)17-10-2-1-3-11(17)8-19-7-10/h4-6,10-11H,1-3,7-8H2.
What are the key properties of (2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone?
(2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone has a molecular weight of 300.18 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone is sourced from PubChem (CID 71795897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).