3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid

C16H14BrNO4 — CID 1026604

IUPAC3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
SMILESCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H14BrNO4/c1-2-22-14-7-6-11(17)9-13(14)15(19)18-12-5-3-4-10(8-12)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyGSPXKHCTXMMVKU-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.80
Rot. Bonds5

About 3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid

3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid (PubChem CID 1026604) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is 3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
PubChem CID1026604
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
SMILESCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H14BrNO4/c1-2-22-14-7-6-11(17)9-13(14)15(19)18-12-5-3-4-10(8-12)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyGSPXKHCTXMMVKU-UHFFFAOYSA-N
XLogP3.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
CID 17234910
5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide
CID 17222029
5-bromo-2-ethoxy-N-(3-hexoxyphenyl)benzamide
CID 17094854
3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate
CID 9323999
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26164769
5-bromo-2-butoxy-N-[3-(tert-butylcarbamoyl)phenyl]benzamide
CID 28639499
3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 5254471
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 1026563
3-(5-bromo-2-ethoxybenzoyl)oxybenzoic acid
CID 54855265
5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid (CID 1026604) is 3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid is CCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid?
The InChIKey is GSPXKHCTXMMVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-2-22-14-7-6-11(17)9-13(14)15(19)18-12-5-3-4-10(8-12)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid?
3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid has a molecular weight of 364.20 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 1026604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).