2-acetamido-N-(3-bromoprop-2-ynyl)acetamide

C7H9BrN2O2 — CID 165430642

IUPAC2-acetamido-N-(3-bromoprop-2-ynyl)acetamide
SMILESCC(=O)NCC(=O)NCC#CBr
InChIInChI=1S/C7H9BrN2O2/c1-6(11)10-5-7(12)9-4-2-3-8/h4-5H2,1H3,(H,9,12)(H,10,11)
InChIKeyVNYCHSVZFAMMQB-UHFFFAOYSA-N
MW233.06 g/mol
LogP-0.41
Rot. Bonds3

About 2-acetamido-N-(3-bromoprop-2-ynyl)acetamide

2-acetamido-N-(3-bromoprop-2-ynyl)acetamide (PubChem CID 165430642) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 2-acetamido-N-(3-bromoprop-2-ynyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(3-bromoprop-2-ynyl)acetamide
PubChem CID165430642
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name2-acetamido-N-(3-bromoprop-2-ynyl)acetamide
SMILESCC(=O)NCC(=O)NCC#CBr
InChIInChI=1S/C7H9BrN2O2/c1-6(11)10-5-7(12)9-4-2-3-8/h4-5H2,1H3,(H,9,12)(H,10,11)
InChIKeyVNYCHSVZFAMMQB-UHFFFAOYSA-N
XLogP-0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-bromoprop-2-ynyl)acetamide?
The IUPAC name of 2-acetamido-N-(3-bromoprop-2-ynyl)acetamide (CID 165430642) is 2-acetamido-N-(3-bromoprop-2-ynyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(3-bromoprop-2-ynyl)acetamide?
The canonical SMILES for 2-acetamido-N-(3-bromoprop-2-ynyl)acetamide is CC(=O)NCC(=O)NCC#CBr.
What is the InChIKey of 2-acetamido-N-(3-bromoprop-2-ynyl)acetamide?
The InChIKey is VNYCHSVZFAMMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-6(11)10-5-7(12)9-4-2-3-8/h4-5H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 2-acetamido-N-(3-bromoprop-2-ynyl)acetamide?
2-acetamido-N-(3-bromoprop-2-ynyl)acetamide has a molecular weight of 233.06 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-bromoprop-2-ynyl)acetamide is sourced from PubChem (CID 165430642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).