3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione

C23H24F2N2O4 — CID 110574671

IUPAC3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccc(C)cc2)C(=O)N(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C23H24F2N2O4/c1-15-4-6-16(7-5-15)20-21(26(10-12-30-2)11-13-31-3)23(29)27(22(20)28)17-8-9-18(24)19(25)14-17/h4-9,14H,10-13H2,1-3H3
InChIKeyIQCCLGKXDLCUBT-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.15
Rot. Bonds9

About 3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione

3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110574671) has the molecular formula C23H24F2N2O4 and a molecular weight of 430.45 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110574671
Molecular FormulaC23H24F2N2O4
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC Name3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccc(C)cc2)C(=O)N(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C23H24F2N2O4/c1-15-4-6-16(7-5-15)20-21(26(10-12-30-2)11-13-31-3)23(29)27(22(20)28)17-8-9-18(24)19(25)14-17/h4-9,14H,10-13H2,1-3H3
InChIKeyIQCCLGKXDLCUBT-UHFFFAOYSA-N
XLogP3.15
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110574671) is 3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione is COCCN(CCOC)C1=C(c2ccc(C)cc2)C(=O)N(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is IQCCLGKXDLCUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O4/c1-15-4-6-16(7-5-15)20-21(26(10-12-30-2)11-13-31-3)23(29)27(22(20)28)17-8-9-18(24)19(25)14-17/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 430.45 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110574671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).