2-bromo-N-(diethoxyphosphorylmethyl)acetamide

C7H15BrNO4P — CID 54463736

IUPAC2-bromo-N-(diethoxyphosphorylmethyl)acetamide
SMILESCCOP(=O)(CNC(=O)CBr)OCC
InChIInChI=1S/C7H15BrNO4P/c1-3-12-14(11,13-4-2)6-9-7(10)5-8/h3-6H2,1-2H3,(H,9,10)
InChIKeyXDKIOFKUUCDKNQ-UHFFFAOYSA-N
MW288.08 g/mol
LogP1.72
Rot. Bonds7

About 2-bromo-N-(diethoxyphosphorylmethyl)acetamide

2-bromo-N-(diethoxyphosphorylmethyl)acetamide (PubChem CID 54463736) has the molecular formula C7H15BrNO4P and a molecular weight of 288.08 g/mol. Its IUPAC name is 2-bromo-N-(diethoxyphosphorylmethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(diethoxyphosphorylmethyl)acetamide
PubChem CID54463736
Molecular FormulaC7H15BrNO4P
Molecular Weight288.08 g/mol
Exact Mass286.99
IUPAC Name2-bromo-N-(diethoxyphosphorylmethyl)acetamide
SMILESCCOP(=O)(CNC(=O)CBr)OCC
InChIInChI=1S/C7H15BrNO4P/c1-3-12-14(11,13-4-2)6-9-7(10)5-8/h3-6H2,1-2H3,(H,9,10)
InChIKeyXDKIOFKUUCDKNQ-UHFFFAOYSA-N
XLogP1.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
CID 134929543
(diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate
CID 122661617
N-[bis(diethoxyphosphoryl)methyl]-2-bromoacetamide
CID 14997216
benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
CID 15458754
1-(diethoxyphosphorylmethyl)-3-phenylurea
CID 2301679
sodium diethoxyphosphorylmethanol
CID 22274944
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide
CID 21027139
N-(diethoxyphosphorylmethyl)propan-2-amine
CID 12633666
N-(diethoxyphosphorylmethyl)-3,5-bis(dimethoxyphosphorylmethyl)benzamide
CID 102245240
N-(2-diethoxyphosphorylethyl)pentanamide
CID 150373666
(2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide
CID 149250728

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(diethoxyphosphorylmethyl)acetamide?
The IUPAC name of 2-bromo-N-(diethoxyphosphorylmethyl)acetamide (CID 54463736) is 2-bromo-N-(diethoxyphosphorylmethyl)acetamide.
What is the SMILES notation for 2-bromo-N-(diethoxyphosphorylmethyl)acetamide?
The canonical SMILES for 2-bromo-N-(diethoxyphosphorylmethyl)acetamide is CCOP(=O)(CNC(=O)CBr)OCC.
What is the InChIKey of 2-bromo-N-(diethoxyphosphorylmethyl)acetamide?
The InChIKey is XDKIOFKUUCDKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrNO4P/c1-3-12-14(11,13-4-2)6-9-7(10)5-8/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-bromo-N-(diethoxyphosphorylmethyl)acetamide?
2-bromo-N-(diethoxyphosphorylmethyl)acetamide has a molecular weight of 288.08 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(diethoxyphosphorylmethyl)acetamide is sourced from PubChem (CID 54463736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).