3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione

C20H21FN2O4 — CID 167825068

IUPAC3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione
SMILESCOCCOc1ccc(NC2CC(=O)N(c3ccccc3C)C2=O)cc1F
InChIInChI=1S/C20H21FN2O4/c1-13-5-3-4-6-17(13)23-19(24)12-16(20(23)25)22-14-7-8-18(15(21)11-14)27-10-9-26-2/h3-8,11,16,22H,9-10,12H2,1-2H3
InChIKeyBTCUVLAESRSVBC-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.90
Rot. Bonds7

About 3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione

3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 167825068) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione
PubChem CID167825068
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione
SMILESCOCCOc1ccc(NC2CC(=O)N(c3ccccc3C)C2=O)cc1F
InChIInChI=1S/C20H21FN2O4/c1-13-5-3-4-6-17(13)23-19(24)12-16(20(23)25)22-14-7-8-18(15(21)11-14)27-10-9-26-2/h3-8,11,16,22H,9-10,12H2,1-2H3
InChIKeyBTCUVLAESRSVBC-UHFFFAOYSA-N
XLogP2.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
CID 2274438
(3R)-3-(2-ethoxyanilino)-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 51859878
3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119915
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370
(3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188169
(3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 93235214
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292
(3S)-1-(2-fluorophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 93235246
3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 43844445
1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 19163695
(3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
CID 1332766
(3R)-1-(2-ethylphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188051

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione (CID 167825068) is 3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione is COCCOc1ccc(NC2CC(=O)N(c3ccccc3C)C2=O)cc1F.
What is the InChIKey of 3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is BTCUVLAESRSVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-13-5-3-4-6-17(13)23-19(24)12-16(20(23)25)22-14-7-8-18(15(21)11-14)27-10-9-26-2/h3-8,11,16,22H,9-10,12H2,1-2H3.
What are the key properties of 3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione?
3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 372.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 167825068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).