2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide

C14H10Cl2FNO — CID 71463068

IUPAC2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide
SMILESO=C(Nc1cccc(-c2ccccc2F)c1)C(Cl)Cl
InChIInChI=1S/C14H10Cl2FNO/c15-13(16)14(19)18-10-5-3-4-9(8-10)11-6-1-2-7-12(11)17/h1-8,13H,(H,18,19)
InChIKeyVAAUQTTWAGHYHD-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.23
Rot. Bonds3

About 2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide

2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide (PubChem CID 71463068) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide
PubChem CID71463068
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide
SMILESO=C(Nc1cccc(-c2ccccc2F)c1)C(Cl)Cl
InChIInChI=1S/C14H10Cl2FNO/c15-13(16)14(19)18-10-5-3-4-9(8-10)11-6-1-2-7-12(11)17/h1-8,13H,(H,18,19)
InChIKeyVAAUQTTWAGHYHD-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide 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 2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide (CID 71463068) is 2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide is O=C(Nc1cccc(-c2ccccc2F)c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide?
The InChIKey is VAAUQTTWAGHYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c15-13(16)14(19)18-10-5-3-4-9(8-10)11-6-1-2-7-12(11)17/h1-8,13H,(H,18,19).
What are the key properties of 2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide?
2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide has a molecular weight of 298.14 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide is sourced from PubChem (CID 71463068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).