1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione

C23H23ClN2O3 — CID 110558966

IUPAC1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccccc3)C(=O)N(Cc3ccccc3Cl)C2=O)CC(C)O1
InChIInChI=1S/C23H23ClN2O3/c1-15-12-25(13-16(2)29-15)21-20(17-8-4-3-5-9-17)22(27)26(23(21)28)14-18-10-6-7-11-19(18)24/h3-11,15-16H,12-14H2,1-2H3
InChIKeyPBBOEIXLCPQLOT-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.73
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione

1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione (PubChem CID 110558966) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
PubChem CID110558966
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccccc3)C(=O)N(Cc3ccccc3Cl)C2=O)CC(C)O1
InChIInChI=1S/C23H23ClN2O3/c1-15-12-25(13-16(2)29-15)21-20(17-8-4-3-5-9-17)22(27)26(23(21)28)14-18-10-6-7-11-19(18)24/h3-11,15-16H,12-14H2,1-2H3
InChIKeyPBBOEIXLCPQLOT-UHFFFAOYSA-N
XLogP3.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.73
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-[(2-chlorophenyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569260
3-(2,6-dimethylmorpholin-4-yl)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110559861
1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558963
3-(2,6-dimethylmorpholin-4-yl)-1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572836
1-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546264
1-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110540995
3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110546954
3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110569396
3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione
CID 110559456
1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560513
1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569559
1-[(2-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110546265

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione (CID 110558966) is 1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione is CC1CN(C2=C(c3ccccc3)C(=O)N(Cc3ccccc3Cl)C2=O)CC(C)O1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The InChIKey is PBBOEIXLCPQLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-15-12-25(13-16(2)29-15)21-20(17-8-4-3-5-9-17)22(27)26(23(21)28)14-18-10-6-7-11-19(18)24/h3-11,15-16H,12-14H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione has a molecular weight of 410.90 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110558966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).