2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C17H10ClF3N2O3 — CID 113201563

IUPAC2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccc(Cl)cc2C1=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10ClF3N2O3/c18-10-3-6-12-13(7-10)16(26)23(15(12)25)8-14(24)22-11-4-1-9(2-5-11)17(19,20)21/h1-7H,8H2,(H,22,24)
InChIKeyPRLUSKDUEINOSN-UHFFFAOYSA-N
MW382.73 g/mol
LogP3.59
Rot. Bonds3

About 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 113201563) has the molecular formula C17H10ClF3N2O3 and a molecular weight of 382.73 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID113201563
Molecular FormulaC17H10ClF3N2O3
Molecular Weight382.73 g/mol
Exact Mass382.03
IUPAC Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccc(Cl)cc2C1=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10ClF3N2O3/c18-10-3-6-12-13(7-10)16(26)23(15(12)25)8-14(24)22-11-4-1-9(2-5-11)17(19,20)21/h1-7H,8H2,(H,22,24)
InChIKeyPRLUSKDUEINOSN-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 53.59
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-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113201573
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-dimethylphenyl)acetamide
CID 113201521
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201500
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113201580
2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100738649
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide
CID 42052502
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide
CID 113202399
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113201524
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113201488
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 113201438

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 113201563) is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)c2ccc(Cl)cc2C1=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PRLUSKDUEINOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O3/c18-10-3-6-12-13(7-10)16(26)23(15(12)25)8-14(24)22-11-4-1-9(2-5-11)17(19,20)21/h1-7H,8H2,(H,22,24).
What are the key properties of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 382.73 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113201563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).