5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate

C17H15BrNO4- — CID 7366889

IUPAC5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate
SMILESO=C(COc1ccc(Br)cc1C(=O)[O-])NCCc1ccccc1
InChIInChI=1S/C17H16BrNO4/c18-13-6-7-15(14(10-13)17(21)22)23-11-16(20)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20)(H,21,22)/p-1
InChIKeyZHGPPJWOCCBCMH-UHFFFAOYSA-M
MW377.21 g/mol
LogP1.55
Rot. Bonds7

About 5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate

5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate (PubChem CID 7366889) has the molecular formula C17H15BrNO4- and a molecular weight of 377.21 g/mol. Its IUPAC name is 5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate.

Molecular Properties

Compound Name5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate
PubChem CID7366889
Molecular FormulaC17H15BrNO4-
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC Name5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate
SMILESO=C(COc1ccc(Br)cc1C(=O)[O-])NCCc1ccccc1
InChIInChI=1S/C17H16BrNO4/c18-13-6-7-15(14(10-13)17(21)22)23-11-16(20)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20)(H,21,22)/p-1
InChIKeyZHGPPJWOCCBCMH-UHFFFAOYSA-M
XLogP1.55
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-2-(propylaminomethyl)phenoxy]-N-(2-phenylethyl)acetamide
CID 7027059
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
CID 19201978
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929767
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
CID 2632590
5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 2164227
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-(2-amino-4-bromophenoxy)-N-benzylacetamide
CID 65429040
2-[2-oxo-2-(2-phenylethylamino)ethoxy]-N-phenylbenzamide
CID 2535242
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate?
The IUPAC name of 5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate (CID 7366889) is 5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate.
What is the SMILES notation for 5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate?
The canonical SMILES for 5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate is O=C(COc1ccc(Br)cc1C(=O)[O-])NCCc1ccccc1.
What is the InChIKey of 5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate?
The InChIKey is ZHGPPJWOCCBCMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16BrNO4/c18-13-6-7-15(14(10-13)17(21)22)23-11-16(20)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20)(H,21,22)/p-1.
What are the key properties of 5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate?
5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate has a molecular weight of 377.21 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate is sourced from PubChem (CID 7366889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).