(3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C16H17F3N2O2 — CID 823725

IUPAC(3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NC2CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)10-4-3-7-12(8-10)21-14(22)9-13(15(21)23)20-11-5-1-2-6-11/h3-4,7-8,11,13,20H,1-2,5-6,9H2/t13-/m1/s1
InChIKeyJWHOXJXPMZLCPS-CYBMUJFWSA-N
MW326.32 g/mol
LogP2.87
Rot. Bonds3

About (3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

(3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 823725) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is (3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID823725
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name(3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NC2CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)10-4-3-7-12(8-10)21-14(22)9-13(15(21)23)20-11-5-1-2-6-11/h3-4,7-8,11,13,20H,1-2,5-6,9H2/t13-/m1/s1
InChIKeyJWHOXJXPMZLCPS-CYBMUJFWSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2085450
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 5300233
(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione
CID 706670
(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1213267
(1S,2R,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 69106201
(3aR,7aR)-5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 695187
methyl 1-[(3R)-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperidine-4-carboxylate
CID 1084403
1-(3-chlorophenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
CID 5296836
4-[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 122031768
1-(3-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 2835886
(3S)-3-[(4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 774577

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 823725) is (3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is O=C1C[C@@H](NC2CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is JWHOXJXPMZLCPS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)10-4-3-7-12(8-10)21-14(22)9-13(15(21)23)20-11-5-1-2-6-11/h3-4,7-8,11,13,20H,1-2,5-6,9H2/t13-/m1/s1.
What are the key properties of (3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
(3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 326.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 823725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).