N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide

C13H14Cl2N2O3 — CID 139932008

IUPACN-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(C)OC(C#N)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c1-8(2)20-13(6-16)17-12(18)7-19-11-4-3-9(14)5-10(11)15/h3-5,8,13H,7H2,1-2H3,(H,17,18)
InChIKeyGGHRAHDRLYJJEV-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.76
Rot. Bonds6

About N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide

N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 139932008) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID139932008
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC NameN-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(C)OC(C#N)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c1-8(2)20-13(6-16)17-12(18)7-19-11-4-3-9(14)5-10(11)15/h3-5,8,13H,7H2,1-2H3,(H,17,18)
InChIKeyGGHRAHDRLYJJEV-UHFFFAOYSA-N
XLogP2.76
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide 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

2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 70091685
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8977221
N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 9246074
2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132657832
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733

Frequently Asked Questions

What is the IUPAC name of N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide (CID 139932008) is N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide is CC(C)OC(C#N)NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is GGHRAHDRLYJJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c1-8(2)20-13(6-16)17-12(18)7-19-11-4-3-9(14)5-10(11)15/h3-5,8,13H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 317.17 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 139932008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).