5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide

C20H23BrN2O3 — CID 1026561

IUPAC5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1
InChIInChI=1S/C20H23BrN2O3/c1-4-26-18-10-7-15(21)11-17(18)20(25)23-16-8-5-14(6-9-16)19(24)22-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyWKSZIBZOOSVTRT-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.49
Rot. Bonds7

About 5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide

5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide (PubChem CID 1026561) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide
PubChem CID1026561
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1
InChIInChI=1S/C20H23BrN2O3/c1-4-26-18-10-7-15(21)11-17(18)20(25)23-16-8-5-14(6-9-16)19(24)22-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyWKSZIBZOOSVTRT-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide (CID 1026561) is 5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide is CCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide?
The InChIKey is WKSZIBZOOSVTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-4-26-18-10-7-15(21)11-17(18)20(25)23-16-8-5-14(6-9-16)19(24)22-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide?
5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide has a molecular weight of 419.32 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 1026561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).