2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate

C17H15BrNO5- — CID 9323999

IUPAC2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate
SMILESCCOc1ccc(Br)cc1C(=O)Nc1cccc(OCC(=O)[O-])c1
InChIInChI=1S/C17H16BrNO5/c1-2-23-15-7-6-11(18)8-14(15)17(22)19-12-4-3-5-13(9-12)24-10-16(20)21/h3-9H,2,10H2,1H3,(H,19,22)(H,20,21)/p-1
InChIKeyVQZKNPQDDSJYLC-UHFFFAOYSA-M
MW393.21 g/mol
LogP2.23
Rot. Bonds7

About 2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate

2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate (PubChem CID 9323999) has the molecular formula C17H15BrNO5- and a molecular weight of 393.21 g/mol. Its IUPAC name is 2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate.

Molecular Properties

Compound Name2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate
PubChem CID9323999
Molecular FormulaC17H15BrNO5-
Molecular Weight393.21 g/mol
Exact Mass392.01
IUPAC Name2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate
SMILESCCOc1ccc(Br)cc1C(=O)Nc1cccc(OCC(=O)[O-])c1
InChIInChI=1S/C17H16BrNO5/c1-2-23-15-7-6-11(18)8-14(15)17(22)19-12-4-3-5-13(9-12)24-10-16(20)21/h3-9H,2,10H2,1H3,(H,19,22)(H,20,21)/p-1
InChIKeyVQZKNPQDDSJYLC-UHFFFAOYSA-M
XLogP2.23
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-ethoxy-N-(3-hexoxyphenyl)benzamide
CID 17094854
5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212
N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
CID 17234910
3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
CID 1026604
5-bromo-2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154923
5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096800
4-bromo-N-(3-ethoxyphenyl)-2-sulfanylbenzamide
CID 107025832
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17169902
5-bromo-2-ethoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 17097441
5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154784
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
CID 17189847

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate?
The IUPAC name of 2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate (CID 9323999) is 2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate.
What is the SMILES notation for 2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate?
The canonical SMILES for 2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate is CCOc1ccc(Br)cc1C(=O)Nc1cccc(OCC(=O)[O-])c1.
What is the InChIKey of 2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate?
The InChIKey is VQZKNPQDDSJYLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16BrNO5/c1-2-23-15-7-6-11(18)8-14(15)17(22)19-12-4-3-5-13(9-12)24-10-16(20)21/h3-9H,2,10H2,1H3,(H,19,22)(H,20,21)/p-1.
What are the key properties of 2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate?
2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate has a molecular weight of 393.21 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate is sourced from PubChem (CID 9323999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).