N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide

C12H15BrN2O2 — CID 79280621

IUPACN-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(OC)c(Br)c1
InChIInChI=1S/C12H15BrN2O2/c1-3-6-14-8-12(16)15-9-4-5-11(17-2)10(13)7-9/h3-5,7,14H,1,6,8H2,2H3,(H,15,16)
InChIKeyBBIVJFZKGDXZLH-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.17
Rot. Bonds6

About N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide

N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide (PubChem CID 79280621) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide
PubChem CID79280621
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(OC)c(Br)c1
InChIInChI=1S/C12H15BrN2O2/c1-3-6-14-8-12(16)15-9-4-5-11(17-2)10(13)7-9/h3-5,7,14H,1,6,8H2,2H3,(H,15,16)
InChIKeyBBIVJFZKGDXZLH-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79280189
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 78908488
N-(4-bromo-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79279349
N-[4-(2-methoxyethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818436
N-(4-bromo-3-nitrophenyl)-2-(prop-2-enylamino)acetamide
CID 79768241
methyl 2-fluoro-5-[[2-(prop-2-enylamino)acetyl]amino]benzoate
CID 79286322
N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912240
N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285856
N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 4163555
N-(3-bromo-4-methoxyphenyl)carbamoyl chloride
CID 115194346
N-(3-bromo-4-methoxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78955856

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide (CID 79280621) is N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(OC)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is BBIVJFZKGDXZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-3-6-14-8-12(16)15-9-4-5-11(17-2)10(13)7-9/h3-5,7,14H,1,6,8H2,2H3,(H,15,16).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide?
N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 299.17 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79280621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).