N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide

C7H11BrN2O2 — CID 130770058

IUPACN-[1-(2-bromoacetyl)azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)CBr)C1
InChIInChI=1S/C7H11BrN2O2/c1-5(11)9-6-3-10(4-6)7(12)2-8/h6H,2-4H2,1H3,(H,9,11)
InChIKeySQECDPZAPIZDOL-UHFFFAOYSA-N
MW235.08 g/mol
LogP-0.27
Rot. Bonds2

About N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide

N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide (PubChem CID 130770058) has the molecular formula C7H11BrN2O2 and a molecular weight of 235.08 g/mol. Its IUPAC name is N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-bromoacetyl)azetidin-3-yl]acetamide
PubChem CID130770058
Molecular FormulaC7H11BrN2O2
Molecular Weight235.08 g/mol
Exact Mass234.00
IUPAC NameN-[1-(2-bromoacetyl)azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)CBr)C1
InChIInChI=1S/C7H11BrN2O2/c1-5(11)9-6-3-10(4-6)7(12)2-8/h6H,2-4H2,1H3,(H,9,11)
InChIKeySQECDPZAPIZDOL-UHFFFAOYSA-N
XLogP-0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Aminoazetidin-1-yl)ethan-1-one
CID 54527850
N-(azetidin-3-yl)-N-methylpropanamide
CID 66186833
2,2,2-tribromo-N-[2-[(2,2,2-tribromoacetyl)amino]propyl]acetamide
CID 20741085
N-(1-methylazetidin-3-yl)acetamide
CID 21611771
N-[2-(2-aminopropylamino)propyl]-2-bromoacetamide
CID 21832439
3-Acetamido-methylazetidine hydrochloride
CID 23051779
N-(azetidin-3-yl)-N-methyl-acetamide
CID 46911962
1-acetyl-N-methylazetidin-3-amine
CID 58007141
2,2-dibromo-N-[2-[(2,2-dibromoacetyl)amino]propyl]acetamide
CID 58962112
N-(1-methanidylazetidin-1-ium-3-yl)acetamide
CID 59822087
2,2,2-tribromo-N-[2-[(2,2-dibromoacetyl)amino]propyl]acetamide
CID 60081727
N-(1-ethylazetidin-3-yl)acetamide
CID 68061573

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide (CID 130770058) is N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide is CC(=O)NC1CN(C(=O)CBr)C1.
What is the InChIKey of N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide?
The InChIKey is SQECDPZAPIZDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O2/c1-5(11)9-6-3-10(4-6)7(12)2-8/h6H,2-4H2,1H3,(H,9,11).
What are the key properties of N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide?
N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide has a molecular weight of 235.08 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide is sourced from PubChem (CID 130770058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).