3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

C19H17FN2O5 — CID 168559093

IUPAC3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCOc1ccc(Oc2ccc(F)cc2NC2=CC(=O)N(CCO)C2=O)cc1
InChIInChI=1S/C19H17FN2O5/c1-26-13-3-5-14(6-4-13)27-17-7-2-12(20)10-15(17)21-16-11-18(24)22(8-9-23)19(16)25/h2-7,10-11,21,23H,8-9H2,1H3
InChIKeyUGLFOWOSABVTRT-UHFFFAOYSA-N
MW372.35 g/mol
LogP2.28
Rot. Bonds7

About 3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168559093) has the molecular formula C19H17FN2O5 and a molecular weight of 372.35 g/mol. Its IUPAC name is 3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168559093
Molecular FormulaC19H17FN2O5
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCOc1ccc(Oc2ccc(F)cc2NC2=CC(=O)N(CCO)C2=O)cc1
InChIInChI=1S/C19H17FN2O5/c1-26-13-3-5-14(6-4-13)27-17-7-2-12(20)10-15(17)21-16-11-18(24)22(8-9-23)19(16)25/h2-7,10-11,21,23H,8-9H2,1H3
InChIKeyUGLFOWOSABVTRT-UHFFFAOYSA-N
XLogP2.28
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-fluoro-2-(2-methoxyethoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559194
3-(5-chloro-2-phenoxyanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556958
1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione
CID 168556374
3-[5-fluoro-2-methoxy-3-(trifluoromethyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558387
1-(2-hydroxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 168560293
1-(2-hydroxyethyl)-3-[2-[(4-methoxyphenyl)methylamino]anilino]pyrrole-2,5-dione
CID 168556433
3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557664
3-(5-ethylsulfonyl-2-methoxyanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559938
3-(2,5-dimethoxyanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 16647932
3-(5-fluoro-2-pyrrolidin-1-ylanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558657
3-(6-chloro-2-fluoro-3-methoxyanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560350
[4-fluoro-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl] acetate
CID 168557775

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168559093) is 3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is COc1ccc(Oc2ccc(F)cc2NC2=CC(=O)N(CCO)C2=O)cc1.
What is the InChIKey of 3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is UGLFOWOSABVTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O5/c1-26-13-3-5-14(6-4-13)27-17-7-2-12(20)10-15(17)21-16-11-18(24)22(8-9-23)19(16)25/h2-7,10-11,21,23H,8-9H2,1H3.
What are the key properties of 3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 372.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168559093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).