N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide

C11H10Cl3N3O3 — CID 2313009

IUPACN-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C11H10Cl3N3O3/c1-6(18)15-7-2-4-8(5-3-7)16-10(20)17-9(19)11(12,13)14/h2-5H,1H3,(H,15,18)(H2,16,17,19,20)
InChIKeyQZEITXHOCLEOAU-UHFFFAOYSA-N
MW338.58 g/mol
LogP2.66
Rot. Bonds2

About N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide

N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide (PubChem CID 2313009) has the molecular formula C11H10Cl3N3O3 and a molecular weight of 338.58 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide
PubChem CID2313009
Molecular FormulaC11H10Cl3N3O3
Molecular Weight338.58 g/mol
Exact Mass336.98
IUPAC NameN-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C11H10Cl3N3O3/c1-6(18)15-7-2-4-8(5-3-7)16-10(20)17-9(19)11(12,13)14/h2-5H,1H3,(H,15,18)(H2,16,17,19,20)
InChIKeyQZEITXHOCLEOAU-UHFFFAOYSA-N
XLogP2.66
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide?
The IUPAC name of N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide (CID 2313009) is N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide?
The canonical SMILES for N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide is CC(=O)Nc1ccc(NC(=O)NC(=O)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide?
The InChIKey is QZEITXHOCLEOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3N3O3/c1-6(18)15-7-2-4-8(5-3-7)16-10(20)17-9(19)11(12,13)14/h2-5H,1H3,(H,15,18)(H2,16,17,19,20).
What are the key properties of N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide?
N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide has a molecular weight of 338.58 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)carbamoyl]-2,2,2-trichloroacetamide is sourced from PubChem (CID 2313009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).