2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide

C17H17ClN2O2 — CID 3089939

IUPAC2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide
SMILESCc1cccc(C)c1NC(=O)C(NC=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2/c1-11-6-5-7-12(2)15(11)20-17(22)16(19-10-21)13-8-3-4-9-14(13)18/h3-10,16H,1-2H3,(H,19,21)(H,20,22)
InChIKeyATRHFXRGWPUVPR-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.38
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide

2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide (PubChem CID 3089939) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide
PubChem CID3089939
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide
SMILESCc1cccc(C)c1NC(=O)C(NC=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2/c1-11-6-5-7-12(2)15(11)20-17(22)16(19-10-21)13-8-3-4-9-14(13)18/h3-10,16H,1-2H3,(H,19,21)(H,20,22)
InChIKeyATRHFXRGWPUVPR-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide 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-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide (CID 3089939) is 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide is Cc1cccc(C)c1NC(=O)C(NC=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide?
The InChIKey is ATRHFXRGWPUVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-6-5-7-12(2)15(11)20-17(22)16(19-10-21)13-8-3-4-9-14(13)18/h3-10,16H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide?
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide has a molecular weight of 316.79 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide is sourced from PubChem (CID 3089939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).