2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide

C19H19ClN2O4 — CID 9371909

IUPAC2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCOc1cc(C#N)cc(Cl)c1OCC(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C19H19ClN2O4/c1-13-4-3-5-15(8-13)25-7-6-22-18(23)12-26-19-16(20)9-14(11-21)10-17(19)24-2/h3-5,8-10H,6-7,12H2,1-2H3,(H,22,23)
InChIKeyIGZWGXUVJRGCLL-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.10
Rot. Bonds8

About 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide

2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 9371909) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID9371909
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCOc1cc(C#N)cc(Cl)c1OCC(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C19H19ClN2O4/c1-13-4-3-5-15(8-13)25-7-6-22-18(23)12-26-19-16(20)9-14(11-21)10-17(19)24-2/h3-5,8-10H,6-7,12H2,1-2H3,(H,22,23)
InChIKeyIGZWGXUVJRGCLL-UHFFFAOYSA-N
XLogP3.10
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzonitrile
CID 20994282
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide
CID 7893217
2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7893268
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide
CID 31326626
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 17413856
2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9372061
2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31525310
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 9371909) is 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide is COc1cc(C#N)cc(Cl)c1OCC(=O)NCCOc1cccc(C)c1.
What is the InChIKey of 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is IGZWGXUVJRGCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-13-4-3-5-15(8-13)25-7-6-22-18(23)12-26-19-16(20)9-14(11-21)10-17(19)24-2/h3-5,8-10H,6-7,12H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 374.82 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 9371909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).