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

C24H18F2N2O2 — CID 110544172

IUPAC3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCN(C1=C(c2ccc(F)cc2)C(=O)N(Cc2ccccc2F)C1=O)c1ccccc1
InChIInChI=1S/C24H18F2N2O2/c1-27(19-8-3-2-4-9-19)22-21(16-11-13-18(25)14-12-16)23(29)28(24(22)30)15-17-7-5-6-10-20(17)26/h2-14H,15H2,1H3
InChIKeyMQMMZHNFSGDVNV-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.38
Rot. Bonds5

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

3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione (PubChem CID 110544172) has the molecular formula C24H18F2N2O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
PubChem CID110544172
Molecular FormulaC24H18F2N2O2
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCN(C1=C(c2ccc(F)cc2)C(=O)N(Cc2ccccc2F)C1=O)c1ccccc1
InChIInChI=1S/C24H18F2N2O2/c1-27(19-8-3-2-4-9-19)22-21(16-11-13-18(25)14-12-16)23(29)28(24(22)30)15-17-7-5-6-10-20(17)26/h2-14H,15H2,1H3
InChIKeyMQMMZHNFSGDVNV-UHFFFAOYSA-N
XLogP4.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110556703
3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544142
1-[(4-fluorophenyl)methyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110559827
1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110566265
3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110543477
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110570002
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572451
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110545221
3-benzylsulfanyl-4-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110544180
3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566263
1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 53254380
3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110583442

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione (CID 110544172) is 3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione is CN(C1=C(c2ccc(F)cc2)C(=O)N(Cc2ccccc2F)C1=O)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione?
The InChIKey is MQMMZHNFSGDVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2/c1-27(19-8-3-2-4-9-19)22-21(16-11-13-18(25)14-12-16)23(29)28(24(22)30)15-17-7-5-6-10-20(17)26/h2-14H,15H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione?
3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione has a molecular weight of 404.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110544172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).