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

C20H23BrN2O3 — CID 1026563

IUPAC5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H23BrN2O3/c1-5-26-17-11-8-14(21)12-16(17)19(25)22-15-9-6-13(7-10-15)18(24)23-20(2,3)4/h6-12H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyQQWGULBTZFGPGF-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.63
Rot. Bonds5

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

5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide (PubChem CID 1026563) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide
PubChem CID1026563
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H23BrN2O3/c1-5-26-17-11-8-14(21)12-16(17)19(25)22-15-9-6-13(7-10-15)18(24)23-20(2,3)4/h6-12H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyQQWGULBTZFGPGF-UHFFFAOYSA-N
XLogP4.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17199571
5-bromo-2-butoxy-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17235078
5-bromo-2-butoxy-N-[3-(tert-butylcarbamoyl)phenyl]benzamide
CID 28639499
5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361445
N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
CID 17234910
3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
CID 1026604
5-bromo-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-(3-methylbutoxy)benzamide
CID 17235080
5-bromo-2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642686
5-bromo-2-(2-methylpropoxy)-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157667
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
3-bromo-4-butoxy-N-[4-(tert-butylcarbamoyl)phenyl]benzamide
CID 17199544
5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352919

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide?
The IUPAC name of 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide (CID 1026563) is 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide.
What is the SMILES notation for 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide?
The canonical SMILES for 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide is CCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide?
The InChIKey is QQWGULBTZFGPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-5-26-17-11-8-14(21)12-16(17)19(25)22-15-9-6-13(7-10-15)18(24)23-20(2,3)4/h6-12H,5H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide?
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide has a molecular weight of 419.32 g/mol, XLogP of 4.63, 5 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-ethoxybenzamide is sourced from PubChem (CID 1026563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).