5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide

C24H24BrNO3 — CID 17046227

IUPAC5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1
InChIInChI=1S/C24H24BrNO3/c1-17(2)29-21-11-9-20(10-12-21)26-24(27)22-16-19(25)8-13-23(22)28-15-14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,26,27)
InChIKeyVKMPQIVKDMWNEF-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.11
Rot. Bonds8

About 5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide

5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 17046227) has the molecular formula C24H24BrNO3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID17046227
Molecular FormulaC24H24BrNO3
Molecular Weight454.36 g/mol
Exact Mass453.09
IUPAC Name5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1
InChIInChI=1S/C24H24BrNO3/c1-17(2)29-21-11-9-20(10-12-21)26-24(27)22-16-19(25)8-13-23(22)28-15-14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,26,27)
InChIKeyVKMPQIVKDMWNEF-UHFFFAOYSA-N
XLogP6.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17160665
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
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17199571
5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212
5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide
CID 17351533
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
5-bromo-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17046767
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide (CID 17046227) is 5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is VKMPQIVKDMWNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO3/c1-17(2)29-21-11-9-20(10-12-21)26-24(27)22-16-19(25)8-13-23(22)28-15-14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,26,27).
What are the key properties of 5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide?
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 454.36 g/mol, XLogP of 6.11, 8 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-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 17046227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).