2,2-dibromo-2-chloroacetamide

C2H2Br2ClNO — CID 57485950

IUPAC2,2-dibromo-2-chloroacetamide
SMILESNC(=O)C(Cl)(Br)Br
InChIInChI=1S/C2H2Br2ClNO/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKeyMBEDDIHHCDUVJV-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.15
Rot. Bonds1

About 2,2-dibromo-2-chloroacetamide

2,2-dibromo-2-chloroacetamide (PubChem CID 57485950) has the molecular formula C2H2Br2ClNO and a molecular weight of 251.30 g/mol. Its IUPAC name is 2,2-dibromo-2-chloroacetamide.

Molecular Properties

Compound Name2,2-dibromo-2-chloroacetamide
PubChem CID57485950
Molecular FormulaC2H2Br2ClNO
Molecular Weight251.30 g/mol
Exact Mass248.82
IUPAC Name2,2-dibromo-2-chloroacetamide
SMILESNC(=O)C(Cl)(Br)Br
InChIInChI=1S/C2H2Br2ClNO/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKeyMBEDDIHHCDUVJV-UHFFFAOYSA-N
XLogP1.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-2-chloroacetamide?
The IUPAC name of 2,2-dibromo-2-chloroacetamide (CID 57485950) is 2,2-dibromo-2-chloroacetamide.
What is the SMILES notation for 2,2-dibromo-2-chloroacetamide?
The canonical SMILES for 2,2-dibromo-2-chloroacetamide is NC(=O)C(Cl)(Br)Br.
What is the InChIKey of 2,2-dibromo-2-chloroacetamide?
The InChIKey is MBEDDIHHCDUVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Br2ClNO/c3-2(4,5)1(6)7/h(H2,6,7).
What are the key properties of 2,2-dibromo-2-chloroacetamide?
2,2-dibromo-2-chloroacetamide has a molecular weight of 251.30 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-2-chloroacetamide is sourced from PubChem (CID 57485950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).