2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid

C17H16BrNO5 — CID 54855912

IUPAC2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C17H16BrNO5/c1-23-8-9-24-15-7-6-11(18)10-13(15)16(20)19-14-5-3-2-4-12(14)17(21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyGPNZSLJKAPTQMA-UHFFFAOYSA-N
MW394.22 g/mol
LogP3.42
Rot. Bonds7

About 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid

2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid (PubChem CID 54855912) has the molecular formula C17H16BrNO5 and a molecular weight of 394.22 g/mol. Its IUPAC name is 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
PubChem CID54855912
Molecular FormulaC17H16BrNO5
Molecular Weight394.22 g/mol
Exact Mass393.02
IUPAC Name2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C17H16BrNO5/c1-23-8-9-24-15-7-6-11(18)10-13(15)16(20)19-14-5-3-2-4-12(14)17(21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyGPNZSLJKAPTQMA-UHFFFAOYSA-N
XLogP3.42
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]benzoic acid
CID 54856145
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17357287
5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide
CID 17357158
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
5-bromo-2-(2-methoxyethoxy)-N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 46760627
5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
CID 17350057
5-bromo-N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17357629
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide
CID 17357345
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid (CID 54855912) is 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid is COCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid?
The InChIKey is GPNZSLJKAPTQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO5/c1-23-8-9-24-15-7-6-11(18)10-13(15)16(20)19-14-5-3-2-4-12(14)17(21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid?
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid has a molecular weight of 394.22 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid is sourced from PubChem (CID 54855912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).