3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione

C20H23ClN2O3 — CID 110569785

IUPAC3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccc(Cl)cc2)=C(N2CCOCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C20H23ClN2O3/c21-15-8-6-14(7-9-15)17-18(22-10-12-26-13-11-22)20(25)23(19(17)24)16-4-2-1-3-5-16/h6-9,16H,1-5,10-13H2
InChIKeyRWKKFJRIQQRKBC-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.08
Rot. Bonds3

About 3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione

3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110569785) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110569785
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccc(Cl)cc2)=C(N2CCOCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C20H23ClN2O3/c21-15-8-6-14(7-9-15)17-18(22-10-12-26-13-11-22)20(25)23(19(17)24)16-4-2-1-3-5-16/h6-9,16H,1-5,10-13H2
InChIKeyRWKKFJRIQQRKBC-UHFFFAOYSA-N
XLogP3.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-1-cyclohexyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110569779
1-cyclohexyl-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110543928
1-cycloheptyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546790
3-(4-chlorophenyl)-1-cycloheptyl-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110569820
N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110562792
3-(4-chlorophenyl)-1-cyclooctyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110569852
3-(4-chlorophenyl)-1-cyclohexyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569781
3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 15006064
3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 46138978
1-cyclohexyl-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110556472
1-cycloheptyl-3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110543967
3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione
CID 110569799

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione (CID 110569785) is 3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione is O=C1C(c2ccc(Cl)cc2)=C(N2CCOCC2)C(=O)N1C1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is RWKKFJRIQQRKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c21-15-8-6-14(7-9-15)17-18(22-10-12-26-13-11-22)20(25)23(19(17)24)16-4-2-1-3-5-16/h6-9,16H,1-5,10-13H2.
What are the key properties of 3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione?
3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 374.87 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110569785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).