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

C25H26BrNO3 — CID 17160665

IUPAC5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide
SMILESCCC(C)Oc1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1
InChIInChI=1S/C25H26BrNO3/c1-3-18(2)30-22-12-10-21(11-13-22)27-25(28)23-17-20(26)9-14-24(23)29-16-15-19-7-5-4-6-8-19/h4-14,17-18H,3,15-16H2,1-2H3,(H,27,28)
InChIKeyPDROLTPCLJBJBL-UHFFFAOYSA-N
MW468.39 g/mol
LogP6.50
Rot. Bonds9

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

5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide (PubChem CID 17160665) has the molecular formula C25H26BrNO3 and a molecular weight of 468.39 g/mol. Its IUPAC name is 5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide
PubChem CID17160665
Molecular FormulaC25H26BrNO3
Molecular Weight468.39 g/mol
Exact Mass467.11
IUPAC Name5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide
SMILESCCC(C)Oc1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1
InChIInChI=1S/C25H26BrNO3/c1-3-18(2)30-22-12-10-21(11-13-22)27-25(28)23-17-20(26)9-14-24(23)29-16-15-19-7-5-4-6-8-19/h4-14,17-18H,3,15-16H2,1-2H3,(H,27,28)
InChIKeyPDROLTPCLJBJBL-UHFFFAOYSA-N
XLogP6.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.39
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide
CID 17351533
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17199571
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
2-anilino-N-(4-butan-2-yloxyphenyl)benzamide
CID 54784852
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-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide (CID 17160665) is 5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide is CCC(C)Oc1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide?
The InChIKey is PDROLTPCLJBJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrNO3/c1-3-18(2)30-22-12-10-21(11-13-22)27-25(28)23-17-20(26)9-14-24(23)29-16-15-19-7-5-4-6-8-19/h4-14,17-18H,3,15-16H2,1-2H3,(H,27,28).
What are the key properties of 5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide?
5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide has a molecular weight of 468.39 g/mol, XLogP of 6.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17160665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).