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

C15H12ClF3N2O3 — CID 1378919

IUPAC3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2O3/c16-11-12(20-4-6-24-7-5-20)14(23)21(13(11)22)10-3-1-2-9(8-10)15(17,18)19/h1-3,8H,4-7H2
InChIKeyMOLCCBNPHVPJPY-UHFFFAOYSA-N
MW360.72 g/mol
LogP2.36
Rot. Bonds2

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

3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 1378919) has the molecular formula C15H12ClF3N2O3 and a molecular weight of 360.72 g/mol. Its IUPAC name is 3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID1378919
Molecular FormulaC15H12ClF3N2O3
Molecular Weight360.72 g/mol
Exact Mass360.05
IUPAC Name3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2O3/c16-11-12(20-4-6-24-7-5-20)14(23)21(13(11)22)10-3-1-2-9(8-10)15(17,18)19/h1-3,8H,4-7H2
InChIKeyMOLCCBNPHVPJPY-UHFFFAOYSA-N
XLogP2.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.72
LogP ≤ 52.36
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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(morpholin-4-yl)acetamide
CID 676222
3-Chloro-4-morpholin-4-yl-1-phenyl-pyrrole-2,5-dione
CID 720237
3-Chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 729270
2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1310650
1-(4-Methylphenyl)-4-(morpholin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 9859937
2-Morpholino-N-(3-(trifluoromethyl)phenyl)acetamide
CID 291811
3-Chloro-1-(4-ethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 2790347
2,2,2-Trichloro-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone
CID 3797441
2-Methoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone;hydrochloride
CID 16192820
3-Chloro-1-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 710581
3-chloro-1-(3-methylphenyl)-4-(morpholin-4-yl)-1H-pyrrole-2,5-dione
CID 728026
3-chloro-1-(2-ethylphenyl)-4-(4-morpholinyl)-1H-pyrrole-2,5-dione
CID 731412

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 1378919) is 3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is MOLCCBNPHVPJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O3/c16-11-12(20-4-6-24-7-5-20)14(23)21(13(11)22)10-3-1-2-9(8-10)15(17,18)19/h1-3,8H,4-7H2.
What are the key properties of 3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 360.72 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 1378919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).