3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide

C26H21BrN2O3 — CID 15998680

IUPAC3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)cc1Br
InChIInChI=1S/C26H21BrN2O3/c1-2-32-24-14-13-19(16-22(24)27)25(30)28-20-10-5-9-18(15-20)26(31)29-23-12-6-8-17-7-3-4-11-21(17)23/h3-16H,2H2,1H3,(H,28,30)(H,29,31)
InChIKeyQDIXWGYQPLXLAT-UHFFFAOYSA-N
MW489.37 g/mol
LogP6.51
Rot. Bonds6

About 3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide

3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide (PubChem CID 15998680) has the molecular formula C26H21BrN2O3 and a molecular weight of 489.37 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide
PubChem CID15998680
Molecular FormulaC26H21BrN2O3
Molecular Weight489.37 g/mol
Exact Mass488.07
IUPAC Name3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)cc1Br
InChIInChI=1S/C26H21BrN2O3/c1-2-32-24-14-13-19(16-22(24)27)25(30)28-20-10-5-9-18(15-20)26(31)29-23-12-6-8-17-7-3-4-11-21(17)23/h3-16H,2H2,1H3,(H,28,30)(H,29,31)
InChIKeyQDIXWGYQPLXLAT-UHFFFAOYSA-N
XLogP6.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.37
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
CID 17342647
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide
CID 17067171
3-bromo-N-[3-(butylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17197037
3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide
CID 17072631
3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123630
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
N-(2-ethoxyphenyl)-3-[(2-naphthalen-1-yloxyacetyl)amino]benzamide
CID 11841398
3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158239
3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
CID 17355255

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide (CID 15998680) is 3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide?
The InChIKey is QDIXWGYQPLXLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrN2O3/c1-2-32-24-14-13-19(16-22(24)27)25(30)28-20-10-5-9-18(15-20)26(31)29-23-12-6-8-17-7-3-4-11-21(17)23/h3-16H,2H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide?
3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide has a molecular weight of 489.37 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 15998680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).