2-[dibromo(hydroxy)methoxy]-2-phenylacetamide

C9H9Br2NO3 — CID 20847466

IUPAC2-[dibromo(hydroxy)methoxy]-2-phenylacetamide
SMILESNC(=O)C(OC(O)(Br)Br)c1ccccc1
InChIInChI=1S/C9H9Br2NO3/c10-9(11,14)15-7(8(12)13)6-4-2-1-3-5-6/h1-5,7,14H,(H2,12,13)
InChIKeyLPZPKMGHDMGLBI-UHFFFAOYSA-N
MW338.98 g/mol
LogP1.62
Rot. Bonds4

About 2-[dibromo(hydroxy)methoxy]-2-phenylacetamide

2-[dibromo(hydroxy)methoxy]-2-phenylacetamide (PubChem CID 20847466) has the molecular formula C9H9Br2NO3 and a molecular weight of 338.98 g/mol. Its IUPAC name is 2-[dibromo(hydroxy)methoxy]-2-phenylacetamide.

Molecular Properties

Compound Name2-[dibromo(hydroxy)methoxy]-2-phenylacetamide
PubChem CID20847466
Molecular FormulaC9H9Br2NO3
Molecular Weight338.98 g/mol
Exact Mass336.89
IUPAC Name2-[dibromo(hydroxy)methoxy]-2-phenylacetamide
SMILESNC(=O)C(OC(O)(Br)Br)c1ccccc1
InChIInChI=1S/C9H9Br2NO3/c10-9(11,14)15-7(8(12)13)6-4-2-1-3-5-6/h1-5,7,14H,(H2,12,13)
InChIKeyLPZPKMGHDMGLBI-UHFFFAOYSA-N
XLogP1.62
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.98
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-benzhydryloxy-2-phenylacetamide
CID 54041521
(2-amino-2-oxo-1-phenylethyl) methanesulfonate
CID 57276683
2-phenyl-2-(1,2,2,2-tetrafluoroethoxy)acetamide
CID 68531753
2-phenyl-2-sulfanylacetamide
CID 19419425
2-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
CID 67685907
2-hydroxy-2-phenylacetamide;hydrochloride
CID 67718904
(2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid
CID 102450257
(2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride
CID 24994544
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide
CID 68777305
(2-amino-2-oxo-1-phenylethyl) 3-methyl-1-benzofuran-2-carboxylate
CID 42897228
methyl 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetate
CID 122393653

Frequently Asked Questions

What is the IUPAC name of 2-[dibromo(hydroxy)methoxy]-2-phenylacetamide?
The IUPAC name of 2-[dibromo(hydroxy)methoxy]-2-phenylacetamide (CID 20847466) is 2-[dibromo(hydroxy)methoxy]-2-phenylacetamide.
What is the SMILES notation for 2-[dibromo(hydroxy)methoxy]-2-phenylacetamide?
The canonical SMILES for 2-[dibromo(hydroxy)methoxy]-2-phenylacetamide is NC(=O)C(OC(O)(Br)Br)c1ccccc1.
What is the InChIKey of 2-[dibromo(hydroxy)methoxy]-2-phenylacetamide?
The InChIKey is LPZPKMGHDMGLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO3/c10-9(11,14)15-7(8(12)13)6-4-2-1-3-5-6/h1-5,7,14H,(H2,12,13).
What are the key properties of 2-[dibromo(hydroxy)methoxy]-2-phenylacetamide?
2-[dibromo(hydroxy)methoxy]-2-phenylacetamide has a molecular weight of 338.98 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dibromo(hydroxy)methoxy]-2-phenylacetamide is sourced from PubChem (CID 20847466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).