(3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone

C11H13BrN2O2 — CID 107873267

IUPAC(3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)N1CC(O)C1
InChIInChI=1S/C11H13BrN2O2/c1-6-9(2-7(12)3-10(6)13)11(16)14-4-8(15)5-14/h2-3,8,15H,4-5,13H2,1H3
InChIKeyCWGFXJUNFMUOTL-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.16
Rot. Bonds1

About (3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone

(3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 107873267) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID107873267
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)N1CC(O)C1
InChIInChI=1S/C11H13BrN2O2/c1-6-9(2-7(12)3-10(6)13)11(16)14-4-8(15)5-14/h2-3,8,15H,4-5,13H2,1H3
InChIKeyCWGFXJUNFMUOTL-UHFFFAOYSA-N
XLogP1.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-5-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone
CID 107871959
(2-amino-5-bromophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107223766
(3-amino-5-bromo-2-methylphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107872912
(3-amino-5-bromo-2-methylphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 107872402
(3-amino-5-bromo-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 107872456
(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 114011408
(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107872264
(3-amino-5-bromo-2-methylphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 107872942
(3-amino-5-bromo-2-methylphenyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 107873192
(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107872673
(3-amino-5-bromo-2-methylphenyl)-(3-methylthiomorpholin-4-yl)methanone
CID 114011365
(3-amino-5-bromo-2-methylphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 107872705

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone (CID 107873267) is (3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone is Cc1c(N)cc(Br)cc1C(=O)N1CC(O)C1.
What is the InChIKey of (3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is CWGFXJUNFMUOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-6-9(2-7(12)3-10(6)13)11(16)14-4-8(15)5-14/h2-3,8,15H,4-5,13H2,1H3.
What are the key properties of (3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone?
(3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 285.14 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromo-2-methylphenyl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107873267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).