(4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C14H15BrClNO2 — CID 63764860

IUPAC(4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(Br)cc1Cl)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H15BrClNO2/c15-8-1-4-12(13(16)5-8)14(19)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7H2
InChIKeyTVPVIBBUCXIREW-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.23
Rot. Bonds1

About (4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63764860) has the molecular formula C14H15BrClNO2 and a molecular weight of 344.64 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63764860
Molecular FormulaC14H15BrClNO2
Molecular Weight344.64 g/mol
Exact Mass343.00
IUPAC Name(4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(Br)cc1Cl)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H15BrClNO2/c15-8-1-4-12(13(16)5-8)14(19)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7H2
InChIKeyTVPVIBBUCXIREW-UHFFFAOYSA-N
XLogP3.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63764860) is (4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1ccc(Br)cc1Cl)N1C2CCC1CC(O)C2.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is TVPVIBBUCXIREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2/c15-8-1-4-12(13(16)5-8)14(19)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7H2.
What are the key properties of (4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 344.64 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63764860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).