N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C18H18BrNO3 — CID 26216414

IUPACN-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccccc2Br)c(OC)c1
InChIInChI=1S/C18H18BrNO3/c1-3-6-13-9-10-16(17(11-13)22-2)23-12-18(21)20-15-8-5-4-7-14(15)19/h3-5,7-11H,1,6,12H2,2H3,(H,20,21)
InChIKeyMGZGBJKCCPDXBW-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.20
Rot. Bonds7

About N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 26216414) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID26216414
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC NameN-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccccc2Br)c(OC)c1
InChIInChI=1S/C18H18BrNO3/c1-3-6-13-9-10-16(17(11-13)22-2)23-12-18(21)20-15-8-5-4-7-14(15)19/h3-5,7-11H,1,6,12H2,2H3,(H,20,21)
InChIKeyMGZGBJKCCPDXBW-UHFFFAOYSA-N
XLogP4.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18168528
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
methyl 4,5-dimethoxy-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 26176842
2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
CID 26536729
N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78799662
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 38760499
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 47005052
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022
2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide
CID 38798639
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 26086828

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 26216414) is N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)Nc2ccccc2Br)c(OC)c1.
What is the InChIKey of N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is MGZGBJKCCPDXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-3-6-13-9-10-16(17(11-13)22-2)23-12-18(21)20-15-8-5-4-7-14(15)19/h3-5,7-11H,1,6,12H2,2H3,(H,20,21).
What are the key properties of N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 376.25 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 26216414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).