5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide

C23H22BrNO3 — CID 17046073

IUPAC5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
SMILESCCOc1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1
InChIInChI=1S/C23H22BrNO3/c1-2-27-20-11-9-19(10-12-20)25-23(26)21-16-18(24)8-13-22(21)28-15-14-17-6-4-3-5-7-17/h3-13,16H,2,14-15H2,1H3,(H,25,26)
InChIKeyATEQSSUJMDRHNM-UHFFFAOYSA-N
MW440.34 g/mol
LogP5.72
Rot. Bonds8

About 5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide

5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide (PubChem CID 17046073) has the molecular formula C23H22BrNO3 and a molecular weight of 440.34 g/mol. Its IUPAC name is 5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
PubChem CID17046073
Molecular FormulaC23H22BrNO3
Molecular Weight440.34 g/mol
Exact Mass439.08
IUPAC Name5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
SMILESCCOc1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1
InChIInChI=1S/C23H22BrNO3/c1-2-27-20-11-9-19(10-12-20)25-23(26)21-16-18(24)8-13-22(21)28-15-14-17-6-4-3-5-7-17/h3-13,16H,2,14-15H2,1H3,(H,25,26)
InChIKeyATEQSSUJMDRHNM-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-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227
5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17160665
5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide
CID 17351533
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17199571
5-bromo-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17046767
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17251817
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-phenylethoxy)benzamide
CID 17204640
N-[4-[[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 17046423
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide (CID 17046073) is 5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide is CCOc1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide?
The InChIKey is ATEQSSUJMDRHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO3/c1-2-27-20-11-9-19(10-12-20)25-23(26)21-16-18(24)8-13-22(21)28-15-14-17-6-4-3-5-7-17/h3-13,16H,2,14-15H2,1H3,(H,25,26).
What are the key properties of 5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide?
5-bromo-N-(4-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-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17046073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).