N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide

C7H16BrNO3P2 — CID 122631433

IUPACN-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide
SMILESCP(C)(=O)C(NC(=O)CBr)P(C)(C)=O
InChIInChI=1S/C7H16BrNO3P2/c1-13(2,11)7(14(3,4)12)9-6(10)5-8/h7H,5H2,1-4H3,(H,9,10)
InChIKeyMSZXXKBRDHIMRE-UHFFFAOYSA-N
MW304.06 g/mol
LogP2.03
Rot. Bonds4

About N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide

N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide (PubChem CID 122631433) has the molecular formula C7H16BrNO3P2 and a molecular weight of 304.06 g/mol. Its IUPAC name is N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide.

Molecular Properties

Compound NameN-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide
PubChem CID122631433
Molecular FormulaC7H16BrNO3P2
Molecular Weight304.06 g/mol
Exact Mass302.98
IUPAC NameN-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide
SMILESCP(C)(=O)C(NC(=O)CBr)P(C)(C)=O
InChIInChI=1S/C7H16BrNO3P2/c1-13(2,11)7(14(3,4)12)9-6(10)5-8/h7H,5H2,1-4H3,(H,9,10)
InChIKeyMSZXXKBRDHIMRE-UHFFFAOYSA-N
XLogP2.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.06
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide?
The IUPAC name of N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide (CID 122631433) is N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide.
What is the SMILES notation for N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide?
The canonical SMILES for N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide is CP(C)(=O)C(NC(=O)CBr)P(C)(C)=O.
What is the InChIKey of N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide?
The InChIKey is MSZXXKBRDHIMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrNO3P2/c1-13(2,11)7(14(3,4)12)9-6(10)5-8/h7H,5H2,1-4H3,(H,9,10).
What are the key properties of N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide?
N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide has a molecular weight of 304.06 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide is sourced from PubChem (CID 122631433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).