5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide

C23H22BrNO3 — CID 17098212

IUPAC5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
SMILESCCOc1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1
InChIInChI=1S/C23H22BrNO3/c1-2-27-20-10-6-9-19(16-20)25-23(26)21-15-18(24)11-12-22(21)28-14-13-17-7-4-3-5-8-17/h3-12,15-16H,2,13-14H2,1H3,(H,25,26)
InChIKeyIUXVSFLIIHHPCT-UHFFFAOYSA-N
MW440.34 g/mol
LogP5.72
Rot. Bonds8

About 5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide

5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide (PubChem CID 17098212) has the molecular formula C23H22BrNO3 and a molecular weight of 440.34 g/mol. Its IUPAC name is 5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
PubChem CID17098212
Molecular FormulaC23H22BrNO3
Molecular Weight440.34 g/mol
Exact Mass439.08
IUPAC Name5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
SMILESCCOc1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1
InChIInChI=1S/C23H22BrNO3/c1-2-27-20-10-6-9-19(16-20)25-23(26)21-15-18(24)11-12-22(21)28-14-13-17-7-4-3-5-8-17/h3-12,15-16H,2,13-14H2,1H3,(H,25,26)
InChIKeyIUXVSFLIIHHPCT-UHFFFAOYSA-N
XLogP5.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.34
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142257
5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086780
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-phenylethoxy)benzamide
CID 17204640
5-bromo-2-butoxy-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17142365
5-bromo-N-[3-(diethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17194642
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17231903
5-bromo-2-ethoxy-N-(3-hexoxyphenyl)benzamide
CID 17094854
[3-(propanoylamino)phenyl] 5-bromo-2-(2-phenylethoxy)benzoate
CID 17073264
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide (CID 17098212) is 5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide is CCOc1cccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1.
What is the InChIKey of 5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide?
The InChIKey is IUXVSFLIIHHPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO3/c1-2-27-20-10-6-9-19(16-20)25-23(26)21-15-18(24)11-12-22(21)28-14-13-17-7-4-3-5-8-17/h3-12,15-16H,2,13-14H2,1H3,(H,25,26).
What are the key properties of 5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide?
5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide has a molecular weight of 440.34 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17098212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).