3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione

C24H17ClF2N2O2 — CID 110586413

IUPAC3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
SMILESCc1c(Cl)cccc1NC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C24H17ClF2N2O2/c1-14-19(25)3-2-4-20(14)28-22-21(16-7-11-18(27)12-8-16)23(30)29(24(22)31)13-15-5-9-17(26)10-6-15/h2-12,28H,13H2,1H3
InChIKeyFIPQWKKZLWPDIT-UHFFFAOYSA-N
MW438.86 g/mol
LogP5.32
Rot. Bonds5

About 3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione

3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione (PubChem CID 110586413) has the molecular formula C24H17ClF2N2O2 and a molecular weight of 438.86 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
PubChem CID110586413
Molecular FormulaC24H17ClF2N2O2
Molecular Weight438.86 g/mol
Exact Mass438.09
IUPAC Name3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
SMILESCc1c(Cl)cccc1NC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C24H17ClF2N2O2/c1-14-19(25)3-2-4-20(14)28-22-21(16-7-11-18(27)12-8-16)23(30)29(24(22)31)13-15-5-9-17(26)10-6-15/h2-12,28H,13H2,1H3
InChIKeyFIPQWKKZLWPDIT-UHFFFAOYSA-N
XLogP5.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.86
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110599430
3-(3-chloro-2-methylanilino)-1-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585297
3-(2-ethoxyanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586414
3-anilino-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586425
3-(3-chloro-2-methylanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594725
3-(2,3-dimethylanilino)-1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600349
3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110599148
3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110599440
3-(3-chloro-2-methylanilino)-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110594381
3-(2,5-dimethylanilino)-1-[(4-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594709
3-(3-chloro-2-methylanilino)-1-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110585913
3-(2,3-dimethylanilino)-4-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110586124

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione (CID 110586413) is 3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione is Cc1c(Cl)cccc1NC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione?
The InChIKey is FIPQWKKZLWPDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N2O2/c1-14-19(25)3-2-4-20(14)28-22-21(16-7-11-18(27)12-8-16)23(30)29(24(22)31)13-15-5-9-17(26)10-6-15/h2-12,28H,13H2,1H3.
What are the key properties of 3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione?
3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione has a molecular weight of 438.86 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 110586413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).