2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid

C15H15Cl2NO5 — CID 167911518

IUPAC2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1coc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C15H15Cl2NO5/c1-22-5-4-18(7-13(20)21)12(19)6-9-8-23-15-10(9)2-3-11(16)14(15)17/h2-3,8H,4-7H2,1H3,(H,20,21)
InChIKeyAKDQSIZBNIXAME-UHFFFAOYSA-N
MW360.19 g/mol
LogP2.84
Rot. Bonds7

About 2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid

2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 167911518) has the molecular formula C15H15Cl2NO5 and a molecular weight of 360.19 g/mol. Its IUPAC name is 2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID167911518
Molecular FormulaC15H15Cl2NO5
Molecular Weight360.19 g/mol
Exact Mass359.03
IUPAC Name2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1coc2c(Cl)c(Cl)ccc12
InChIInChI=1S/C15H15Cl2NO5/c1-22-5-4-18(7-13(20)21)12(19)6-9-8-23-15-10(9)2-3-11(16)14(15)17/h2-3,8H,4-7H2,1H3,(H,20,21)
InChIKeyAKDQSIZBNIXAME-UHFFFAOYSA-N
XLogP2.84
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid (CID 167911518) is 2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)Cc1coc2c(Cl)c(Cl)ccc12.
What is the InChIKey of 2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is AKDQSIZBNIXAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO5/c1-22-5-4-18(7-13(20)21)12(19)6-9-8-23-15-10(9)2-3-11(16)14(15)17/h2-3,8H,4-7H2,1H3,(H,20,21).
What are the key properties of 2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 360.19 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 167911518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).