(1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate

C18H13ClN2O5 — CID 7998387

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H13ClN2O5/c19-12-7-5-11(6-8-12)16(23)20-9-15(22)26-10-21-17(24)13-3-1-2-4-14(13)18(21)25/h1-8H,9-10H2,(H,20,23)
InChIKeyZQUROWZPJPZBAZ-UHFFFAOYSA-N
MW372.76 g/mol
LogP1.87
Rot. Bonds5

About (1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate

(1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 7998387) has the molecular formula C18H13ClN2O5 and a molecular weight of 372.76 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID7998387
Molecular FormulaC18H13ClN2O5
Molecular Weight372.76 g/mol
Exact Mass372.05
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H13ClN2O5/c19-12-7-5-11(6-8-12)16(23)20-9-15(22)26-10-21-17(24)13-3-1-2-4-14(13)18(21)25/h1-8H,9-10H2,(H,20,23)
InChIKeyZQUROWZPJPZBAZ-UHFFFAOYSA-N
XLogP1.87
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate (CID 7998387) is (1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)cc1)OCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is ZQUROWZPJPZBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O5/c19-12-7-5-11(6-8-12)16(23)20-9-15(22)26-10-21-17(24)13-3-1-2-4-14(13)18(21)25/h1-8H,9-10H2,(H,20,23).
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
(1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 372.76 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 7998387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).