2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide

C12H15BrN2O — CID 107583496

IUPAC2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide
SMILESCc1cc(Br)cc(NC(=O)CC2CNC2)c1
InChIInChI=1S/C12H15BrN2O/c1-8-2-10(13)5-11(3-8)15-12(16)4-9-6-14-7-9/h2-3,5,9,14H,4,6-7H2,1H3,(H,15,16)
InChIKeyKBXYZDBWLOLYMV-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.31
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide

2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide (PubChem CID 107583496) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide
PubChem CID107583496
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide
SMILESCc1cc(Br)cc(NC(=O)CC2CNC2)c1
InChIInChI=1S/C12H15BrN2O/c1-8-2-10(13)5-11(3-8)15-12(16)4-9-6-14-7-9/h2-3,5,9,14H,4,6-7H2,1H3,(H,15,16)
InChIKeyKBXYZDBWLOLYMV-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461
2-(azetidin-3-yl)-N-(2-bromo-5-methylphenyl)acetamide
CID 82756641
N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 107583431
2-(azetidin-3-yl)-N-(5-bromo-3-methyl-2-pyridinyl)acetamide
CID 83170220
N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107583558
N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide
CID 64617559
N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide
CID 104938592
N-(3-acetamido-4-methylphenyl)-2-(azetidin-3-yl)acetamide
CID 64618777
2-(azetidin-3-yl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734717
N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide
CID 110857463
N-(3-bromo-5-methylphenyl)-3-(1,1-dioxothiolan-3-yl)propanamide
CID 110426523
N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide
CID 104938652

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide (CID 107583496) is 2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide is Cc1cc(Br)cc(NC(=O)CC2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide?
The InChIKey is KBXYZDBWLOLYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-2-10(13)5-11(3-8)15-12(16)4-9-6-14-7-9/h2-3,5,9,14H,4,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide?
2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide has a molecular weight of 283.17 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide is sourced from PubChem (CID 107583496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).