5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide

C18H18BrNO3 — CID 17098043

IUPAC5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccccc1NC(=O)c1cc(Br)ccc1OCC
InChIInChI=1S/C18H18BrNO3/c1-3-11-23-17-8-6-5-7-15(17)20-18(21)14-12-13(19)9-10-16(14)22-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,20,21)
InChIKeyVASKJEWZDBXQCA-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.66
Rot. Bonds7

About 5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide

5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide (PubChem CID 17098043) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide
PubChem CID17098043
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccccc1NC(=O)c1cc(Br)ccc1OCC
InChIInChI=1S/C18H18BrNO3/c1-3-11-23-17-8-6-5-7-15(17)20-18(21)14-12-13(19)9-10-16(14)22-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,20,21)
InChIKeyVASKJEWZDBXQCA-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
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

5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide
CID 17351821
5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17094423
N-(2,4-dibromophenyl)-2-ethoxybenzamide
CID 3649234
methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate
CID 17341933
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495
5-bromo-2-ethoxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093702
5-bromo-2-ethoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074427
5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17352958
5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17094328
5-bromo-N-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236676
5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate
CID 9320369
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide (CID 17098043) is 5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide is C=CCOc1ccccc1NC(=O)c1cc(Br)ccc1OCC.
What is the InChIKey of 5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide?
The InChIKey is VASKJEWZDBXQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-3-11-23-17-8-6-5-7-15(17)20-18(21)14-12-13(19)9-10-16(14)22-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,20,21).
What are the key properties of 5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide?
5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide has a molecular weight of 376.25 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 17098043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).