2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide

C10H9BrN2O2 — CID 63679924

IUPAC2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
SMILESN#CCOc1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C10H9BrN2O2/c11-7-10(14)13-8-1-3-9(4-2-8)15-6-5-12/h1-4H,6-7H2,(H,13,14)
InChIKeyMLDLEYDATJWKFC-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.92
Rot. Bonds4

About 2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide

2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide (PubChem CID 63679924) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
PubChem CID63679924
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
SMILESN#CCOc1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C10H9BrN2O2/c11-7-10(14)13-8-1-3-9(4-2-8)15-6-5-12/h1-4H,6-7H2,(H,13,14)
InChIKeyMLDLEYDATJWKFC-UHFFFAOYSA-N
XLogP1.92
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide
CID 61249827
2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 30873439
N-[4-(cyanomethoxy)phenyl]-2-cyclopentylacetamide
CID 51177132
N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 61248513
2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64610182
N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399410
2-(1-aminocyclopentyl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64677584
2-bromo-N-(4-prop-2-enoxyphenyl)acetamide
CID 23624716
N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
CID 65018856
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide (CID 63679924) is 2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide is N#CCOc1ccc(NC(=O)CBr)cc1.
What is the InChIKey of 2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide?
The InChIKey is MLDLEYDATJWKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-7-10(14)13-8-1-3-9(4-2-8)15-6-5-12/h1-4H,6-7H2,(H,13,14).
What are the key properties of 2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide?
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide has a molecular weight of 269.10 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide is sourced from PubChem (CID 63679924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).