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

C25H21FN2O3 — CID 110544142

IUPAC3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCOc1ccccc1CN1C(=O)C(c2ccc(F)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C25H21FN2O3/c1-27(20-9-4-3-5-10-20)23-22(17-12-14-19(26)15-13-17)24(29)28(25(23)30)16-18-8-6-7-11-21(18)31-2/h3-15H,16H2,1-2H3
InChIKeyWJNWJPIGDBUQIB-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.25
Rot. Bonds6

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

3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione (PubChem CID 110544142) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
PubChem CID110544142
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Name3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCOc1ccccc1CN1C(=O)C(c2ccc(F)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C25H21FN2O3/c1-27(20-9-4-3-5-10-20)23-22(17-12-14-19(26)15-13-17)24(29)28(25(23)30)16-18-8-6-7-11-21(18)31-2/h3-15H,16H2,1-2H3
InChIKeyWJNWJPIGDBUQIB-UHFFFAOYSA-N
XLogP4.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544172
1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110556703
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-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110569981
1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 53254380
3-(3,4-dimethoxyphenyl)-4-(N-methylanilino)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110563883
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572451
1-benzyl-3-(3,4-dimethylphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110548758
1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544717
3-(3-fluoroanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594724

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione (CID 110544142) is 3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione is COc1ccccc1CN1C(=O)C(c2ccc(F)cc2)=C(N(C)c2ccccc2)C1=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione?
The InChIKey is WJNWJPIGDBUQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-27(20-9-4-3-5-10-20)23-22(17-12-14-19(26)15-13-17)24(29)28(25(23)30)16-18-8-6-7-11-21(18)31-2/h3-15H,16H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione?
3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione has a molecular weight of 416.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110544142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).