(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

C11H11BrClNO2 — CID 106812651

IUPAC(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C11H11BrClNO2/c1-11(16)5-14(6-11)10(15)7-2-8(12)4-9(13)3-7/h2-4,16H,5-6H2,1H3
InChIKeyVZFIBPDHANCGFZ-UHFFFAOYSA-N
MW304.57 g/mol
LogP2.31
Rot. Bonds1

About (3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 106812651) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID106812651
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC Name(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C11H11BrClNO2/c1-11(16)5-14(6-11)10(15)7-2-8(12)4-9(13)3-7/h2-4,16H,5-6H2,1H3
InChIKeyVZFIBPDHANCGFZ-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 81323896
(3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 107952405
(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107952407
(3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470758
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 103826408
(3-bromo-5-chlorophenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 103827047
(3,5-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107973077
(3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 103826910
(3-bromo-5-chlorophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314300
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-bromo-5-chlorophenyl)methanone
CID 103827020

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 106812651) is (3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is CC1(O)CN(C(=O)c2cc(Cl)cc(Br)c2)C1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is VZFIBPDHANCGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO2/c1-11(16)5-14(6-11)10(15)7-2-8(12)4-9(13)3-7/h2-4,16H,5-6H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 304.57 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 106812651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).