(2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

C12H13Br2NO2 — CID 114018454

IUPAC(2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2ccc(Br)cc2Br)C1
InChIInChI=1S/C12H13Br2NO2/c1-2-12(17)6-15(7-12)11(16)9-4-3-8(13)5-10(9)14/h3-5,17H,2,6-7H2,1H3
InChIKeyAUFGDUKEJVCQCB-UHFFFAOYSA-N
MW363.05 g/mol
LogP2.81
Rot. Bonds2

About (2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

(2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (PubChem CID 114018454) has the molecular formula C12H13Br2NO2 and a molecular weight of 363.05 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
PubChem CID114018454
Molecular FormulaC12H13Br2NO2
Molecular Weight363.05 g/mol
Exact Mass360.93
IUPAC Name(2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2ccc(Br)cc2Br)C1
InChIInChI=1S/C12H13Br2NO2/c1-2-12(17)6-15(7-12)11(16)9-4-3-8(13)5-10(9)14/h3-5,17H,2,6-7H2,1H3
InChIKeyAUFGDUKEJVCQCB-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107973077
(4-bromo-2-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 115369585
(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 103883074
(2,4-dibromophenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107952423
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113345359
methyl 4-(2,4-dibromobenzoyl)piperazine-1-carboxylate
CID 103882580
(2,4-dibromophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 107952420
1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103882529
N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide
CID 103882520
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 113345204
[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107939826
4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide
CID 103882891

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (CID 114018454) is (2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is CCC1(O)CN(C(=O)c2ccc(Br)cc2Br)C1.
What is the InChIKey of (2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The InChIKey is AUFGDUKEJVCQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO2/c1-2-12(17)6-15(7-12)11(16)9-4-3-8(13)5-10(9)14/h3-5,17H,2,6-7H2,1H3.
What are the key properties of (2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
(2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone has a molecular weight of 363.05 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 114018454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).