2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide

C26H23ClN4O4 — CID 11712884

IUPAC2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
SMILESO=C(Nc1ccc(N2CCOCC2=O)cc1)C1c2ccccc2CN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN4O4/c27-18-5-7-20(8-6-18)29-26(34)31-15-17-3-1-2-4-22(17)24(31)25(33)28-19-9-11-21(12-10-19)30-13-14-35-16-23(30)32/h1-12,24H,13-16H2,(H,28,33)(H,29,34)
InChIKeyZWXGSYWAJPRCBM-UHFFFAOYSA-N
MW490.95 g/mol
LogP4.43
Rot. Bonds4

About 2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide

2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide (PubChem CID 11712884) has the molecular formula C26H23ClN4O4 and a molecular weight of 490.95 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
PubChem CID11712884
Molecular FormulaC26H23ClN4O4
Molecular Weight490.95 g/mol
Exact Mass490.14
IUPAC Name2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
SMILESO=C(Nc1ccc(N2CCOCC2=O)cc1)C1c2ccccc2CN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN4O4/c27-18-5-7-20(8-6-18)29-26(34)31-15-17-3-1-2-4-22(17)24(31)25(33)28-19-9-11-21(12-10-19)30-13-14-35-16-23(30)32/h1-12,24H,13-16H2,(H,28,33)(H,29,34)
InChIKeyZWXGSYWAJPRCBM-UHFFFAOYSA-N
XLogP4.43
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.95
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chlorophenyl)-1-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 58878297
6-N-(4-chlorophenyl)-5-N-[4-(3-oxomorpholin-4-yl)phenyl]-4-oxa-6-azaspiro[2.4]heptane-5,6-dicarboxamide
CID 11547325
(2R,4S)-1-N-(4-chlorophenyl)-4-ethynyl-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11283079
[1-[(4-chlorophenyl)carbamoyl]-5-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl] acetate
CID 66593201
[1-[(4-chlorophenyl)carbamoyl]-5-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl] 2-methylpropanoate
CID 66593237
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]-4-(2,2,2-trifluoroethoxy)pyrrolidine-1,2-dicarboxamide
CID 59646129
2-N-(4-chlorophenyl)-3-N-[4-(4-methyl-2-oxo-1,4-diazepan-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide;ethane
CID 143868710
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11202026
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 72812814
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11352019
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575
(1S)-2-N-(4-methylphenyl)-1-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 69497239

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide (CID 11712884) is 2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide is O=C(Nc1ccc(N2CCOCC2=O)cc1)C1c2ccccc2CN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide?
The InChIKey is ZWXGSYWAJPRCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O4/c27-18-5-7-20(8-6-18)29-26(34)31-15-17-3-1-2-4-22(17)24(31)25(33)28-19-9-11-21(12-10-19)30-13-14-35-16-23(30)32/h1-12,24H,13-16H2,(H,28,33)(H,29,34).
What are the key properties of 2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide?
2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide has a molecular weight of 490.95 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-1-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide is sourced from PubChem (CID 11712884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).