2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide

C4H10BINO2P — CID 88859753

IUPAC2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide
SMILESCCOCC(=O)NB(P)I
InChIInChI=1S/C4H10BINO2P/c1-2-9-3-4(8)7-5(6)10/h2-3,10H2,1H3,(H,7,8)
InChIKeyHIEWIGSXOBJQQG-UHFFFAOYSA-N
MW272.82 g/mol
LogP0.43
Rot. Bonds4

About 2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide

2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide (PubChem CID 88859753) has the molecular formula C4H10BINO2P and a molecular weight of 272.82 g/mol. Its IUPAC name is 2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide
PubChem CID88859753
Molecular FormulaC4H10BINO2P
Molecular Weight272.82 g/mol
Exact Mass272.96
IUPAC Name2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide
SMILESCCOCC(=O)NB(P)I
InChIInChI=1S/C4H10BINO2P/c1-2-9-3-4(8)7-5(6)10/h2-3,10H2,1H3,(H,7,8)
InChIKeyHIEWIGSXOBJQQG-UHFFFAOYSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-phosphanyliminoboranylacetamide
CID 58331241
2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide
CID 88859758
2-ethoxy-N-iodoacetamide
CID 153012942
ethene;2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide
CID 159430194

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide?
The IUPAC name of 2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide (CID 88859753) is 2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide is CCOCC(=O)NB(P)I.
What is the InChIKey of 2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide?
The InChIKey is HIEWIGSXOBJQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BINO2P/c1-2-9-3-4(8)7-5(6)10/h2-3,10H2,1H3,(H,7,8).
What are the key properties of 2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide?
2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide has a molecular weight of 272.82 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[iodo(phosphanyl)boranyl]acetamide is sourced from PubChem (CID 88859753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).