N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide

C12H7Cl2F3N2O3 — CID 20537585

IUPACN-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C1CC(NC(=O)C(F)(F)F)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2F3N2O3/c13-5-1-6(14)3-7(2-5)19-9(20)4-8(10(19)21)18-11(22)12(15,16)17/h1-3,8H,4H2,(H,18,22)
InChIKeyCGAGCYXQPRQCOX-UHFFFAOYSA-N
MW355.10 g/mol
LogP2.30
Rot. Bonds2

About N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide

N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 20537585) has the molecular formula C12H7Cl2F3N2O3 and a molecular weight of 355.10 g/mol. Its IUPAC name is N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID20537585
Molecular FormulaC12H7Cl2F3N2O3
Molecular Weight355.10 g/mol
Exact Mass353.98
IUPAC NameN-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C1CC(NC(=O)C(F)(F)F)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2F3N2O3/c13-5-1-6(14)3-7(2-5)19-9(20)4-8(10(19)21)18-11(22)12(15,16)17/h1-3,8H,4H2,(H,18,22)
InChIKeyCGAGCYXQPRQCOX-UHFFFAOYSA-N
XLogP2.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 52.30
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

2-bromoethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate
CID 20537574
2-methoxyethyl N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]carbamate
CID 20537583
4-[3-[4-chloro-2-(trifluoromethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43860705
N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzohydrazide
CID 4972953
5-[3-(4-chloro-2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid
CID 43860997
(3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6982522
ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide
CID 142031116
4-[3-(4-chloroanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 2851413
1-[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 41281887
5-[2,5-dioxo-3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid
CID 43861018
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione
CID 2949824

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide (CID 20537585) is N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide is O=C1CC(NC(=O)C(F)(F)F)C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is CGAGCYXQPRQCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O3/c13-5-1-6(14)3-7(2-5)19-9(20)4-8(10(19)21)18-11(22)12(15,16)17/h1-3,8H,4H2,(H,18,22).
What are the key properties of N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 355.10 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 20537585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).