1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

C22H21ClN2O5 — CID 110566761

IUPAC1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccccc3OC)=C(N3CCOCC3)C2=O)cc1Cl
InChIInChI=1S/C22H21ClN2O5/c1-28-17-6-4-3-5-15(17)19-20(24-9-11-30-12-10-24)22(27)25(21(19)26)14-7-8-18(29-2)16(23)13-14/h3-8,13H,9-12H2,1-2H3
InChIKeyBWWZRNLRVCNVKC-UHFFFAOYSA-N
MW428.87 g/mol
LogP2.97
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110566761) has the molecular formula C22H21ClN2O5 and a molecular weight of 428.87 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110566761
Molecular FormulaC22H21ClN2O5
Molecular Weight428.87 g/mol
Exact Mass428.11
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccccc3OC)=C(N3CCOCC3)C2=O)cc1Cl
InChIInChI=1S/C22H21ClN2O5/c1-28-17-6-4-3-5-15(17)19-20(24-9-11-30-12-10-24)22(27)25(21(19)26)14-7-8-18(29-2)16(23)13-14/h3-8,13H,9-12H2,1-2H3
InChIKeyBWWZRNLRVCNVKC-UHFFFAOYSA-N
XLogP2.97
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-1-(3-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565222
3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110567613
1-(3,4-dichlorophenyl)-3-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110567085
1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110566840
N-[4-[3-(2-methoxyphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110567287
1-(3,4-dichlorophenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567081
1-(3-chloro-4-methylphenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567499
1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565875
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566864
3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110567402
1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567380
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565346

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 110566761) is 1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is COc1ccc(N2C(=O)C(c3ccccc3OC)=C(N3CCOCC3)C2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is BWWZRNLRVCNVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O5/c1-28-17-6-4-3-5-15(17)19-20(24-9-11-30-12-10-24)22(27)25(21(19)26)14-7-8-18(29-2)16(23)13-14/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 428.87 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110566761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).