1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione

C17H18F3N3O4 — CID 168559809

IUPAC1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc(N3CCOCC3)cc2C(F)(F)F)C(=O)N1CCO
InChIInChI=1S/C17H18F3N3O4/c18-17(19,20)12-9-11(22-4-7-27-8-5-22)1-2-13(12)21-14-10-15(25)23(3-6-24)16(14)26/h1-2,9-10,21,24H,3-8H2
InChIKeyNHUCHLYSBDSGJL-UHFFFAOYSA-N
MW385.34 g/mol
LogP1.20
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione (PubChem CID 168559809) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione
PubChem CID168559809
Molecular FormulaC17H18F3N3O4
Molecular Weight385.34 g/mol
Exact Mass385.12
IUPAC Name1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc(N3CCOCC3)cc2C(F)(F)F)C(=O)N1CCO
InChIInChI=1S/C17H18F3N3O4/c18-17(19,20)12-9-11(22-4-7-27-8-5-22)1-2-13(12)21-14-10-15(25)23(3-6-24)16(14)26/h1-2,9-10,21,24H,3-8H2
InChIKeyNHUCHLYSBDSGJL-UHFFFAOYSA-N
XLogP1.20
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 51.20
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-(3-bromo-4-morpholin-4-ylanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560328
3-[2,5-dichloro-3-(trifluoromethyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560593
3-(2-fluoro-4-hydroxyanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556457
1-(2-hydroxyethyl)-3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]pyrrole-2,5-dione
CID 168557288
propyl 5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-morpholin-4-ylbenzoate
CID 168559894
1-(2-hydroxyethyl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)anilino]pyrrole-2,5-dione
CID 168558600
3-(3-fluoro-2-piperidin-1-ylanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558086
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 71883058
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55795168
3-[2-(azepan-1-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559724
1-(2-hydroxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 168560293
3-[4-chloro-2-(hydroxymethyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559789

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione (CID 168559809) is 1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione is O=C1C=C(Nc2ccc(N3CCOCC3)cc2C(F)(F)F)C(=O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The InChIKey is NHUCHLYSBDSGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c18-17(19,20)12-9-11(22-4-7-27-8-5-22)1-2-13(12)21-14-10-15(25)23(3-6-24)16(14)26/h1-2,9-10,21,24H,3-8H2.
What are the key properties of 1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione has a molecular weight of 385.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-morpholin-4-yl-2-(trifluoromethyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 168559809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).