N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C13H10ClF3N2O3 — CID 2495777

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H10ClF3N2O3/c14-7-1-2-9(8(5-7)13(15,16)17)18-10(20)6-19-11(21)3-4-12(19)22/h1-2,5H,3-4,6H2,(H,18,20)
InChIKeyNVFOZRCHZYFKJO-UHFFFAOYSA-N
MW334.68 g/mol
LogP2.45
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 2495777) has the molecular formula C13H10ClF3N2O3 and a molecular weight of 334.68 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID2495777
Molecular FormulaC13H10ClF3N2O3
Molecular Weight334.68 g/mol
Exact Mass334.03
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H10ClF3N2O3/c14-7-1-2-9(8(5-7)13(15,16)17)18-10(20)6-19-11(21)3-4-12(19)22/h1-2,5H,3-4,6H2,(H,18,20)
InChIKeyNVFOZRCHZYFKJO-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.68
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 2495777) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is NVFOZRCHZYFKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O3/c14-7-1-2-9(8(5-7)13(15,16)17)18-10(20)6-19-11(21)3-4-12(19)22/h1-2,5H,3-4,6H2,(H,18,20).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 334.68 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 2495777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).