2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide

C23H22ClF3N4O3 — CID 92764754

IUPAC2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN([C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)CC1)Nc1ccccc1
InChIInChI=1S/C23H22ClF3N4O3/c24-18-7-6-16(12-17(18)23(25,26)27)31-21(33)13-19(22(31)34)30-10-8-29(9-11-30)14-20(32)28-15-4-2-1-3-5-15/h1-7,12,19H,8-11,13-14H2,(H,28,32)/t19-/m0/s1
InChIKeyZMAUXCKIAPQDBA-IBGZPJMESA-N
MW494.90 g/mol
LogP3.25
Rot. Bonds5

About 2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide

2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 92764754) has the molecular formula C23H22ClF3N4O3 and a molecular weight of 494.90 g/mol. Its IUPAC name is 2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide
PubChem CID92764754
Molecular FormulaC23H22ClF3N4O3
Molecular Weight494.90 g/mol
Exact Mass494.13
IUPAC Name2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN([C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)CC1)Nc1ccccc1
InChIInChI=1S/C23H22ClF3N4O3/c24-18-7-6-16(12-17(18)23(25,26)27)31-21(33)13-19(22(31)34)30-10-8-29(9-11-30)14-20(32)28-15-4-2-1-3-5-15/h1-7,12,19H,8-11,13-14H2,(H,28,32)/t19-/m0/s1
InChIKeyZMAUXCKIAPQDBA-IBGZPJMESA-N
XLogP3.25
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.90
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide
CID 5145620
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773614
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 5066273
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 5090907
ethyl 1-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 29158058
(2S)-2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30725819
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]acetamide
CID 46689409
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690878
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetamide
CID 30740117
1-[(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 1307651
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31479408
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 27246868

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide (CID 92764754) is 2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN([C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is ZMAUXCKIAPQDBA-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22ClF3N4O3/c24-18-7-6-16(12-17(18)23(25,26)27)31-21(33)13-19(22(31)34)30-10-8-29(9-11-30)14-20(32)28-15-4-2-1-3-5-15/h1-7,12,19H,8-11,13-14H2,(H,28,32)/t19-/m0/s1.
What are the key properties of 2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 494.90 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 92764754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).