5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide

C20H22BrNO4 — CID 17097726

IUPAC5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1ccc(NC(=O)c2cc(Br)ccc2OCCOC)cc1
InChIInChI=1S/C20H22BrNO4/c1-14(2)13-26-17-7-5-16(6-8-17)22-20(23)18-12-15(21)4-9-19(18)25-11-10-24-3/h4-9,12H,1,10-11,13H2,2-3H3,(H,22,23)
InChIKeyMOZUXXASCIBJPW-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.68
Rot. Bonds9

About 5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide

5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide (PubChem CID 17097726) has the molecular formula C20H22BrNO4 and a molecular weight of 420.30 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
PubChem CID17097726
Molecular FormulaC20H22BrNO4
Molecular Weight420.30 g/mol
Exact Mass419.07
IUPAC Name5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1ccc(NC(=O)c2cc(Br)ccc2OCCOC)cc1
InChIInChI=1S/C20H22BrNO4/c1-14(2)13-26-17-7-5-16(6-8-17)22-20(23)18-12-15(21)4-9-19(18)25-11-10-24-3/h4-9,12H,1,10-11,13H2,2-3H3,(H,22,23)
InChIKeyMOZUXXASCIBJPW-UHFFFAOYSA-N
XLogP4.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
5-bromo-2-ethoxy-N-[[4-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 17097836
2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 131949452
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
5-bromo-2-(2-methoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17357334
5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 17252356
5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17357254
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide
CID 17351533
5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357251
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide (CID 17097726) is 5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide is C=C(C)COc1ccc(NC(=O)c2cc(Br)ccc2OCCOC)cc1.
What is the InChIKey of 5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The InChIKey is MOZUXXASCIBJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO4/c1-14(2)13-26-17-7-5-16(6-8-17)22-20(23)18-12-15(21)4-9-19(18)25-11-10-24-3/h4-9,12H,1,10-11,13H2,2-3H3,(H,22,23).
What are the key properties of 5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide has a molecular weight of 420.30 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide is sourced from PubChem (CID 17097726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).