5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide

C24H23BrN2O3 — CID 17352958

IUPAC5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C24H23BrN2O3/c1-3-30-22-14-13-18(25)15-20(22)24(29)27-21-12-8-7-11-19(21)23(28)26-16(2)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyARSPHDCKZJCUAI-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.59
Rot. Bonds7

About 5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide

5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 17352958) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID17352958
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C24H23BrN2O3/c1-3-30-22-14-13-18(25)15-20(22)24(29)27-21-12-8-7-11-19(21)23(28)26-16(2)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyARSPHDCKZJCUAI-UHFFFAOYSA-N
XLogP5.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
CID 975653
5-bromo-2-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044
5-bromo-2-ethoxy-N-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17353296
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide
CID 43911555
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43887620
2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]benzoic acid
CID 54856145
5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17050842
5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2947744

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide (CID 17352958) is 5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide is CCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is ARSPHDCKZJCUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-3-30-22-14-13-18(25)15-20(22)24(29)27-21-12-8-7-11-19(21)23(28)26-16(2)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide?
5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide has a molecular weight of 467.36 g/mol, XLogP of 5.59, 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-[2-(1-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17352958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).