(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate

C22H19ClN2O6 — CID 16506175

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCC(OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)C(=O)N1CCOCC1
InChIInChI=1S/C22H19ClN2O6/c1-13(19(26)24-8-10-30-11-9-24)31-22(29)14-2-7-17-18(12-14)21(28)25(20(17)27)16-5-3-15(23)4-6-16/h2-7,12-13H,8-11H2,1H3
InChIKeyLNZUDKASJNTDCX-UHFFFAOYSA-N
MW442.86 g/mol
LogP2.54
Rot. Bonds4

About (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate

(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate (PubChem CID 16506175) has the molecular formula C22H19ClN2O6 and a molecular weight of 442.86 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
PubChem CID16506175
Molecular FormulaC22H19ClN2O6
Molecular Weight442.86 g/mol
Exact Mass442.09
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCC(OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)C(=O)N1CCOCC1
InChIInChI=1S/C22H19ClN2O6/c1-13(19(26)24-8-10-30-11-9-24)31-22(29)14-2-7-17-18(12-14)21(28)25(20(17)27)16-5-3-15(23)4-6-16/h2-7,12-13H,8-11H2,1H3
InChIKeyLNZUDKASJNTDCX-UHFFFAOYSA-N
XLogP2.54
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.86
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-5-(morpholine-4-carbonyl)isoindole-1,3-dione
CID 2100384
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1009914
(1-morpholin-4-yl-1-oxopropan-2-yl) 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 16510691
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 55304985
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501968
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 7738693
methane;[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 159791787
[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-acetylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2898820
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 16506188
(1-oxo-1-phenylpropan-2-yl) 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2902217
[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 3989944
(4-chlorophenyl) 2-(4-acetylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 4010022

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate (CID 16506175) is (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate is CC(OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)C(=O)N1CCOCC1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is LNZUDKASJNTDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O6/c1-13(19(26)24-8-10-30-11-9-24)31-22(29)14-2-7-17-18(12-14)21(28)25(20(17)27)16-5-3-15(23)4-6-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 442.86 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 16506175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).