5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide

C26H27BrN2O3 — CID 17199571

IUPAC5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1
InChIInChI=1S/C26H27BrN2O3/c1-26(2,3)29-24(30)19-9-12-21(13-10-19)28-25(31)22-17-20(27)11-14-23(22)32-16-15-18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyWFZNNTYLKFGXPU-UHFFFAOYSA-N
MW495.42 g/mol
LogP5.85
Rot. Bonds7

About 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide

5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide (PubChem CID 17199571) has the molecular formula C26H27BrN2O3 and a molecular weight of 495.42 g/mol. Its IUPAC name is 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
PubChem CID17199571
Molecular FormulaC26H27BrN2O3
Molecular Weight495.42 g/mol
Exact Mass494.12
IUPAC Name5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1
InChIInChI=1S/C26H27BrN2O3/c1-26(2,3)29-24(30)19-9-12-21(13-10-19)28-25(31)22-17-20(27)11-14-23(22)32-16-15-18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyWFZNNTYLKFGXPU-UHFFFAOYSA-N
XLogP5.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.42
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 17046423
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 1026563
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-phenylethoxy)benzamide
CID 17204640
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
N-[4-[[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 17046394
5-bromo-N-[[4-(methylcarbamoyl)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 28642968
5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17160665
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17231903
5-bromo-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17251817

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide (CID 17199571) is 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide is CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The InChIKey is WFZNNTYLKFGXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O3/c1-26(2,3)29-24(30)19-9-12-21(13-10-19)28-25(31)22-17-20(27)11-14-23(22)32-16-15-18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide has a molecular weight of 495.42 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17199571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).