2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide

C16H12Cl2N2O2 — CID 13386349

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2O2/c1-11-8-13(18)4-7-15(11)22-9-16(21)20(10-19)14-5-2-12(17)3-6-14/h2-8H,9H2,1H3
InChIKeyVCNAWSSFBNELNJ-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.19
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide

2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide (PubChem CID 13386349) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide
PubChem CID13386349
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2O2/c1-11-8-13(18)4-7-15(11)22-9-16(21)20(10-19)14-5-2-12(17)3-6-14/h2-8H,9H2,1H3
InChIKeyVCNAWSSFBNELNJ-UHFFFAOYSA-N
XLogP4.19
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze 2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
2-[[2-(4-chloro-2-methylphenoxy)acetyl]-prop-2-ynylamino]acetic acid
CID 79275280
2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
CID 63906456
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112978898
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
CID 112978890
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-2-methylphenoxy)-N-methylacetamide
CID 119652375
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78768448
ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]benzoate
CID 23100696

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide (CID 13386349) is 2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide is Cc1cc(Cl)ccc1OCC(=O)N(C#N)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide?
The InChIKey is VCNAWSSFBNELNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-11-8-13(18)4-7-15(11)22-9-16(21)20(10-19)14-5-2-12(17)3-6-14/h2-8H,9H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide?
2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide has a molecular weight of 335.19 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4-chlorophenyl)-N-cyanoacetamide is sourced from PubChem (CID 13386349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).