2-bromo-N-(4-prop-2-enoxyphenyl)acetamide

C11H12BrNO2 — CID 23624716

IUPAC2-bromo-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C11H12BrNO2/c1-2-7-15-10-5-3-9(4-6-10)13-11(14)8-12/h2-6H,1,7-8H2,(H,13,14)
InChIKeyRBUQRDOXYBJHTP-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.58
Rot. Bonds5

About 2-bromo-N-(4-prop-2-enoxyphenyl)acetamide

2-bromo-N-(4-prop-2-enoxyphenyl)acetamide (PubChem CID 23624716) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-bromo-N-(4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(4-prop-2-enoxyphenyl)acetamide
PubChem CID23624716
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-bromo-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C11H12BrNO2/c1-2-7-15-10-5-3-9(4-6-10)13-11(14)8-12/h2-6H,1,7-8H2,(H,13,14)
InChIKeyRBUQRDOXYBJHTP-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(4-prop-2-enoxyphenyl)acetamide
CID 168522487
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821441
3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 100514728
2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide
CID 4952511
1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
N-(4-prop-2-enoxyphenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989337
N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816702
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-(3,4-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821243
2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54815005

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-bromo-N-(4-prop-2-enoxyphenyl)acetamide (CID 23624716) is 2-bromo-N-(4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(NC(=O)CBr)cc1.
What is the InChIKey of 2-bromo-N-(4-prop-2-enoxyphenyl)acetamide?
The InChIKey is RBUQRDOXYBJHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-2-7-15-10-5-3-9(4-6-10)13-11(14)8-12/h2-6H,1,7-8H2,(H,13,14).
What are the key properties of 2-bromo-N-(4-prop-2-enoxyphenyl)acetamide?
2-bromo-N-(4-prop-2-enoxyphenyl)acetamide has a molecular weight of 270.13 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 23624716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).