1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione

C23H23ClN2O3 — CID 110560513

IUPAC1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)C(c2ccccc2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C23H23ClN2O3/c1-14-12-25(13-15(2)29-14)21-20(17-8-5-4-6-9-17)22(27)26(23(21)28)19-11-7-10-18(24)16(19)3/h4-11,14-15H,12-13H2,1-3H3
InChIKeyYXJXKUUMJGRLMI-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.04
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione

1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione (PubChem CID 110560513) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
PubChem CID110560513
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)C(c2ccccc2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C23H23ClN2O3/c1-14-12-25(13-15(2)29-14)21-20(17-8-5-4-6-9-17)22(27)26(23(21)28)19-11-7-10-18(24)16(19)3/h4-11,14-15H,12-13H2,1-3H3
InChIKeyYXJXKUUMJGRLMI-UHFFFAOYSA-N
XLogP4.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.04
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-(2,6-dimethylmorpholin-4-yl)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561409
3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574196
3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione
CID 110559456
1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560400
1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110558966
1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561291
1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562182
3-(2,6-dimethylmorpholin-4-yl)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562053
1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561986
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110545592
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110557141
1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561479

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione (CID 110560513) is 1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione is Cc1c(Cl)cccc1N1C(=O)C(c2ccccc2)=C(N2CC(C)OC(C)C2)C1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The InChIKey is YXJXKUUMJGRLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-14-12-25(13-15(2)29-14)21-20(17-8-5-4-6-9-17)22(27)26(23(21)28)19-11-7-10-18(24)16(19)3/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione has a molecular weight of 410.90 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110560513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).