3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione

C24H27FN2O5 — CID 110543282

IUPAC3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccc(F)cc2)C(=O)N(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C24H27FN2O5/c1-30-14-12-26(13-15-31-2)22-21(18-6-8-19(25)9-7-18)23(28)27(24(22)29)16-17-4-10-20(32-3)11-5-17/h4-11H,12-16H2,1-3H3
InChIKeyFYXFJNJRVPULDC-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.71
Rot. Bonds11

About 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione

3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione (PubChem CID 110543282) has the molecular formula C24H27FN2O5 and a molecular weight of 442.49 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
PubChem CID110543282
Molecular FormulaC24H27FN2O5
Molecular Weight442.49 g/mol
Exact Mass442.19
IUPAC Name3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccc(F)cc2)C(=O)N(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C24H27FN2O5/c1-30-14-12-26(13-15-31-2)22-21(18-6-8-19(25)9-7-18)23(28)27(24(22)29)16-17-4-10-20(32-3)11-5-17/h4-11H,12-16H2,1-3H3
InChIKeyFYXFJNJRVPULDC-UHFFFAOYSA-N
XLogP2.71
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.71
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-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110544304
3-[bis(2-methoxyethyl)amino]-4-(4-methoxyphenyl)-1-pentylpyrrole-2,5-dione
CID 110556213
3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110543280
3-[bis(2-methoxyethyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
CID 110569653
3-[benzyl(ethyl)amino]-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110558909
3-[2-hydroxyethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571952
3-[bis(2-methoxyethyl)amino]-1-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572010
3-[bis(2-methoxyethyl)amino]-1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565374
3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110586015
1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 53254380
3-[bis(2-methoxyethyl)amino]-1-(3-chlorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545247
3-[bis(2-methoxyethyl)amino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110560491

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione (CID 110543282) is 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione is COCCN(CCOC)C1=C(c2ccc(F)cc2)C(=O)N(Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is FYXFJNJRVPULDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O5/c1-30-14-12-26(13-15-31-2)22-21(18-6-8-19(25)9-7-18)23(28)27(24(22)29)16-17-4-10-20(32-3)11-5-17/h4-11H,12-16H2,1-3H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 442.49 g/mol, XLogP of 2.71, 11 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-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 110543282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).