N-(4-anilinophenyl)-2,2,2-trichloroacetamide

C14H11Cl3N2O — CID 759107

IUPACN-(4-anilinophenyl)-2,2,2-trichloroacetamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H11Cl3N2O/c15-14(16,17)13(20)19-12-8-6-11(7-9-12)18-10-4-2-1-3-5-10/h1-9,18H,(H,19,20)
InChIKeyDXWLHYHAGCVSIA-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.74
Rot. Bonds3

About N-(4-anilinophenyl)-2,2,2-trichloroacetamide

N-(4-anilinophenyl)-2,2,2-trichloroacetamide (PubChem CID 759107) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2,2,2-trichloroacetamide
PubChem CID759107
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC NameN-(4-anilinophenyl)-2,2,2-trichloroacetamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H11Cl3N2O/c15-14(16,17)13(20)19-12-8-6-11(7-9-12)18-10-4-2-1-3-5-10/h1-9,18H,(H,19,20)
InChIKeyDXWLHYHAGCVSIA-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.61
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2,2,2-trichloroacetamide?
The IUPAC name of N-(4-anilinophenyl)-2,2,2-trichloroacetamide (CID 759107) is N-(4-anilinophenyl)-2,2,2-trichloroacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2,2,2-trichloroacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2,2,2-trichloroacetamide is O=C(Nc1ccc(Nc2ccccc2)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of N-(4-anilinophenyl)-2,2,2-trichloroacetamide?
The InChIKey is DXWLHYHAGCVSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c15-14(16,17)13(20)19-12-8-6-11(7-9-12)18-10-4-2-1-3-5-10/h1-9,18H,(H,19,20).
What are the key properties of N-(4-anilinophenyl)-2,2,2-trichloroacetamide?
N-(4-anilinophenyl)-2,2,2-trichloroacetamide has a molecular weight of 329.61 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2,2,2-trichloroacetamide is sourced from PubChem (CID 759107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).