3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione

C19H15Cl2FN2O3 — CID 110568631

IUPAC3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
SMILESCN(CCO)C1=C(c2ccc(Cl)cc2Cl)C(=O)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C19H15Cl2FN2O3/c1-23(7-8-25)17-16(14-6-5-11(20)9-15(14)21)18(26)24(19(17)27)13-4-2-3-12(22)10-13/h2-6,9-10,25H,7-8H2,1H3
InChIKeyXNCKBBXOXAEDNY-UHFFFAOYSA-N
MW409.24 g/mol
LogP3.34
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione

3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione (PubChem CID 110568631) has the molecular formula C19H15Cl2FN2O3 and a molecular weight of 409.24 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
PubChem CID110568631
Molecular FormulaC19H15Cl2FN2O3
Molecular Weight409.24 g/mol
Exact Mass408.04
IUPAC Name3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
SMILESCN(CCO)C1=C(c2ccc(Cl)cc2Cl)C(=O)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C19H15Cl2FN2O3/c1-23(7-8-25)17-16(14-6-5-11(20)9-15(14)21)18(26)24(19(17)27)13-4-2-3-12(22)10-13/h2-6,9-10,25H,7-8H2,1H3
InChIKeyXNCKBBXOXAEDNY-UHFFFAOYSA-N
XLogP3.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557062
1-(3-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551635
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110570769
1-(3-bromophenyl)-3-(4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110544594
1-(3,4-difluorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567740
3-(2,4-dimethylphenyl)-1-(2-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110579496
3-(4-chlorophenyl)-1-(2-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110570518
1-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-phenylpyrrole-2,5-dione
CID 110562167
1-(2,4-difluorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-phenylpyrrole-2,5-dione
CID 110562093
3-(2,4-dichlorophenyl)-4-(N-ethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110568670
3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110577824
1-(3-bromophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573314

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione (CID 110568631) is 3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione is CN(CCO)C1=C(c2ccc(Cl)cc2Cl)C(=O)N(c2cccc(F)c2)C1=O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione?
The InChIKey is XNCKBBXOXAEDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O3/c1-23(7-8-25)17-16(14-6-5-11(20)9-15(14)21)18(26)24(19(17)27)13-4-2-3-12(22)10-13/h2-6,9-10,25H,7-8H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione has a molecular weight of 409.24 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-(3-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 110568631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).