3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione

C21H22Cl2N2O5 — CID 110567972

IUPAC3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccc(Cl)cc2Cl)C(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C21H22Cl2N2O5/c1-28-10-7-24(8-11-29-2)19-18(16-6-5-14(22)12-17(16)23)20(26)25(21(19)27)13-15-4-3-9-30-15/h3-6,9,12H,7-8,10-11,13H2,1-2H3
InChIKeyVQMOQWZCUOEFTJ-UHFFFAOYSA-N
MW453.32 g/mol
LogP3.46
Rot. Bonds10

About 3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione

3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione (PubChem CID 110567972) has the molecular formula C21H22Cl2N2O5 and a molecular weight of 453.32 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
PubChem CID110567972
Molecular FormulaC21H22Cl2N2O5
Molecular Weight453.32 g/mol
Exact Mass452.09
IUPAC Name3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccc(Cl)cc2Cl)C(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C21H22Cl2N2O5/c1-28-10-7-24(8-11-29-2)19-18(16-6-5-14(22)12-17(16)23)20(26)25(21(19)27)13-15-4-3-9-30-15/h3-6,9,12H,7-8,10-11,13H2,1-2H3
InChIKeyVQMOQWZCUOEFTJ-UHFFFAOYSA-N
XLogP3.46
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione (CID 110567972) is 3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione is COCCN(CCOC)C1=C(c2ccc(Cl)cc2Cl)C(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione?
The InChIKey is VQMOQWZCUOEFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O5/c1-28-10-7-24(8-11-29-2)19-18(16-6-5-14(22)12-17(16)23)20(26)25(21(19)27)13-15-4-3-9-30-15/h3-6,9,12H,7-8,10-11,13H2,1-2H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione?
3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione has a molecular weight of 453.32 g/mol, XLogP of 3.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110567972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).