5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide

C24H22BrNO3 — CID 17086780

IUPAC5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1
InChIInChI=1S/C24H22BrNO3/c1-2-14-28-21-10-6-9-20(17-21)26-24(27)22-16-19(25)11-12-23(22)29-15-13-18-7-4-3-5-8-18/h2-12,16-17H,1,13-15H2,(H,26,27)
InChIKeyZMVPPLIDLNEEIW-UHFFFAOYSA-N
MW452.35 g/mol
LogP5.89
Rot. Bonds9

About 5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide

5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 17086780) has the molecular formula C24H22BrNO3 and a molecular weight of 452.35 g/mol. Its IUPAC name is 5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID17086780
Molecular FormulaC24H22BrNO3
Molecular Weight452.35 g/mol
Exact Mass451.08
IUPAC Name5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1
InChIInChI=1S/C24H22BrNO3/c1-2-14-28-21-10-6-9-20(17-21)26-24(27)22-16-19(25)11-12-23(22)29-15-13-18-7-4-3-5-8-18/h2-12,16-17H,1,13-15H2,(H,26,27)
InChIKeyZMVPPLIDLNEEIW-UHFFFAOYSA-N
XLogP5.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.35
LogP ≤ 55.89
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-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212
5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142257
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-phenylethoxy)benzamide
CID 17204640
5-bromo-2-(2-methoxyethoxy)-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17086887
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17231903
5-bromo-2-(2-phenylethoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 17046182
5-bromo-2-butoxy-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17142365
3-bromo-4-(2-phenylethoxy)-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17086892
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide (CID 17086780) is 5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1.
What is the InChIKey of 5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is ZMVPPLIDLNEEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrNO3/c1-2-14-28-21-10-6-9-20(17-21)26-24(27)22-16-19(25)11-12-23(22)29-15-13-18-7-4-3-5-8-18/h2-12,16-17H,1,13-15H2,(H,26,27).
What are the key properties of 5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide?
5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 452.35 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 17086780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).