3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione

C22H17FN2O3 — CID 110543477

IUPAC3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCN(C1=C(c2ccc(F)cc2)C(=O)N(Cc2ccco2)C1=O)c1ccccc1
InChIInChI=1S/C22H17FN2O3/c1-24(17-6-3-2-4-7-17)20-19(15-9-11-16(23)12-10-15)21(26)25(22(20)27)14-18-8-5-13-28-18/h2-13H,14H2,1H3
InChIKeyVDGNJNCQBICXHM-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.84
Rot. Bonds5

About 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione

3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione (PubChem CID 110543477) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione
PubChem CID110543477
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCN(C1=C(c2ccc(F)cc2)C(=O)N(Cc2ccco2)C1=O)c1ccccc1
InChIInChI=1S/C22H17FN2O3/c1-24(17-6-3-2-4-7-17)20-19(15-9-11-16(23)12-10-15)21(26)25(22(20)27)14-18-8-5-13-28-18/h2-13H,14H2,1H3
InChIKeyVDGNJNCQBICXHM-UHFFFAOYSA-N
XLogP3.84
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110559827
3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544172
3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544142
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110578260
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110569377
N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562422
1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110556703
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572451
1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 53254380
3-(2,3-dimethylanilino)-4-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110586124
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110545221
1-benzyl-3-(3,4-dimethylphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110548758

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione (CID 110543477) is 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione is CN(C1=C(c2ccc(F)cc2)C(=O)N(Cc2ccco2)C1=O)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The InChIKey is VDGNJNCQBICXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-24(17-6-3-2-4-7-17)20-19(15-9-11-16(23)12-10-15)21(26)25(22(20)27)14-18-8-5-13-28-18/h2-13H,14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione?
3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione has a molecular weight of 376.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110543477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).