2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid

C24H18N2O6 — CID 17342168

IUPAC2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1
InChIInChI=1S/C24H18N2O6/c27-21(28)14-32-18-5-3-4-17(12-18)25-22(29)16-10-8-15(9-11-16)13-26-23(30)19-6-1-2-7-20(19)24(26)31/h1-12H,13-14H2,(H,25,29)(H,27,28)
InChIKeyLVCUWGKIPYDNDJ-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.20
Rot. Bonds7

About 2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid

2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid (PubChem CID 17342168) has the molecular formula C24H18N2O6 and a molecular weight of 430.42 g/mol. Its IUPAC name is 2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid
PubChem CID17342168
Molecular FormulaC24H18N2O6
Molecular Weight430.42 g/mol
Exact Mass430.12
IUPAC Name2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1
InChIInChI=1S/C24H18N2O6/c27-21(28)14-32-18-5-3-4-17(12-18)25-22(29)16-10-8-15(9-11-16)13-26-23(30)19-6-1-2-7-20(19)24(26)31/h1-12H,13-14H2,(H,25,29)(H,27,28)
InChIKeyLVCUWGKIPYDNDJ-UHFFFAOYSA-N
XLogP3.20
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide
CID 60533789
3-[[2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenoxy]acetyl]amino]benzoic acid
CID 10252097
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34453463
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38329840
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide
CID 135358086
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60519196
2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid (CID 17342168) is 2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1.
What is the InChIKey of 2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid?
The InChIKey is LVCUWGKIPYDNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O6/c27-21(28)14-32-18-5-3-4-17(12-18)25-22(29)16-10-8-15(9-11-16)13-26-23(30)19-6-1-2-7-20(19)24(26)31/h1-12H,13-14H2,(H,25,29)(H,27,28).
What are the key properties of 2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid?
2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid has a molecular weight of 430.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 17342168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).