(3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C13H13BrClNO2 — CID 103827056

IUPAC(3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)N1CC2CCC(C1)O2
InChIInChI=1S/C13H13BrClNO2/c14-9-3-8(4-10(15)5-9)13(17)16-6-11-1-2-12(7-16)18-11/h3-5,11-12H,1-2,6-7H2
InChIKeyFZFZIQIVBRBVQL-UHFFFAOYSA-N
MW330.61 g/mol
LogP3.11
Rot. Bonds1

About (3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 103827056) has the molecular formula C13H13BrClNO2 and a molecular weight of 330.61 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID103827056
Molecular FormulaC13H13BrClNO2
Molecular Weight330.61 g/mol
Exact Mass328.98
IUPAC Name(3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)N1CC2CCC(C1)O2
InChIInChI=1S/C13H13BrClNO2/c14-9-3-8(4-10(15)5-9)13(17)16-6-11-1-2-12(7-16)18-11/h3-5,11-12H,1-2,6-7H2
InChIKeyFZFZIQIVBRBVQL-UHFFFAOYSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3-bromo-5-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
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(3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
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(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633275
2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
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(3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone
CID 114018658
(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812651
(3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 103826910

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 103827056) is (3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1cc(Cl)cc(Br)c1)N1CC2CCC(C1)O2.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is FZFZIQIVBRBVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2/c14-9-3-8(4-10(15)5-9)13(17)16-6-11-1-2-12(7-16)18-11/h3-5,11-12H,1-2,6-7H2.
What are the key properties of (3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 330.61 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 103827056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).