2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid

C15H16ClNO5 — CID 119188822

IUPAC2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1oc2c(Cl)cccc2c1C
InChIInChI=1S/C15H16ClNO5/c1-9-10-4-3-5-11(16)14(10)22-13(9)15(20)17(6-7-21-2)8-12(18)19/h3-5H,6-8H2,1-2H3,(H,18,19)
InChIKeyAJXMYJHTJRQMRI-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.57
Rot. Bonds6

About 2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 119188822) has the molecular formula C15H16ClNO5 and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID119188822
Molecular FormulaC15H16ClNO5
Molecular Weight325.75 g/mol
Exact Mass325.07
IUPAC Name2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1oc2c(Cl)cccc2c1C
InChIInChI=1S/C15H16ClNO5/c1-9-10-4-3-5-11(16)14(10)22-13(9)15(20)17(6-7-21-2)8-12(18)19/h3-5H,6-8H2,1-2H3,(H,18,19)
InChIKeyAJXMYJHTJRQMRI-UHFFFAOYSA-N
XLogP2.57
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 119188822) is 2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1oc2c(Cl)cccc2c1C.
What is the InChIKey of 2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is AJXMYJHTJRQMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO5/c1-9-10-4-3-5-11(16)14(10)22-13(9)15(20)17(6-7-21-2)8-12(18)19/h3-5H,6-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 325.75 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119188822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).