4-ethenoxybenzamide

C9H9NO2 — CID 66368618

IUPAC4-ethenoxybenzamide
SMILESC=COc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H9NO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h2-6H,1H2,(H2,10,11)
InChIKeyMSGSBZGFFICEDA-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.31
Rot. Bonds3

About 4-ethenoxybenzamide

4-ethenoxybenzamide (PubChem CID 66368618) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-ethenoxybenzamide.

Molecular Properties

Compound Name4-ethenoxybenzamide
PubChem CID66368618
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name4-ethenoxybenzamide
SMILESC=COc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H9NO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h2-6H,1H2,(H2,10,11)
InChIKeyMSGSBZGFFICEDA-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethenoxyphenyl)ethanone
CID 14448263
4-(4-carbamoylphenoxy)benzamide
CID 156597124
1-(4-ethenoxyphenyl)butan-1-one
CID 151638835
1,4-bis(ethenoxy)benzene;ethane
CID 145326219
1-ethenoxy-4-(4-ethenoxyphenyl)benzene
CID 58944287
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
bis(4-carbamoylphenoxy)-oxophosphanium
CID 175103323
4-(4-hydroxyphenoxy)benzamide
CID 60869896
(4-carbamoylphenyl) carbonochloridate
CID 119084646
4-(2-oxoethoxy)benzamide
CID 54336602
(4-carbamoylphenyl) 2-methylprop-2-enoate
CID 53440858
4-(4-fluorophenoxy)benzamide
CID 22142233

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxybenzamide?
The IUPAC name of 4-ethenoxybenzamide (CID 66368618) is 4-ethenoxybenzamide.
What is the SMILES notation for 4-ethenoxybenzamide?
The canonical SMILES for 4-ethenoxybenzamide is C=COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-ethenoxybenzamide?
The InChIKey is MSGSBZGFFICEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h2-6H,1H2,(H2,10,11).
What are the key properties of 4-ethenoxybenzamide?
4-ethenoxybenzamide has a molecular weight of 163.18 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxybenzamide is sourced from PubChem (CID 66368618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).