2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid

C24H19ClN2O5 — CID 134146172

IUPAC2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C24H19ClN2O5/c25-18-8-5-15(6-9-18)14-32-21-10-7-16(23(30)26-12-22(28)29)11-20(21)27-13-17-3-1-2-4-19(17)24(27)31/h1-11H,12-14H2,(H,26,30)(H,28,29)
InChIKeyPVVYJMWGCVOQQB-UHFFFAOYSA-N
MW450.88 g/mol
LogP3.89
Rot. Bonds7

About 2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid

2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid (PubChem CID 134146172) has the molecular formula C24H19ClN2O5 and a molecular weight of 450.88 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid
PubChem CID134146172
Molecular FormulaC24H19ClN2O5
Molecular Weight450.88 g/mol
Exact Mass450.10
IUPAC Name2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C24H19ClN2O5/c25-18-8-5-15(6-9-18)14-32-21-10-7-16(23(30)26-12-22(28)29)11-20(21)27-13-17-3-1-2-4-19(17)24(27)31/h1-11H,12-14H2,(H,26,30)(H,28,29)
InChIKeyPVVYJMWGCVOQQB-UHFFFAOYSA-N
XLogP3.89
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid (CID 134146172) is 2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(N2Cc3ccccc3C2=O)c1.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid?
The InChIKey is PVVYJMWGCVOQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5/c25-18-8-5-15(6-9-18)14-32-21-10-7-16(23(30)26-12-22(28)29)11-20(21)27-13-17-3-1-2-4-19(17)24(27)31/h1-11H,12-14H2,(H,26,30)(H,28,29).
What are the key properties of 2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid?
2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid has a molecular weight of 450.88 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorophenyl)methoxy]-3-(3-oxo-1H-isoindol-2-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 134146172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).