N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide

C19H20ClNO3 — CID 7696214

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(C=O)cc(C)c1OCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO3/c1-13-9-16(11-22)10-14(2)19(13)24-12-18(23)21-8-7-15-3-5-17(20)6-4-15/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,23)
InChIKeyJZXJJZIHVXZCBJ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide (PubChem CID 7696214) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide
PubChem CID7696214
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(C=O)cc(C)c1OCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO3/c1-13-9-16(11-22)10-14(2)19(13)24-12-18(23)21-8-7-15-3-5-17(20)6-4-15/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,23)
InChIKeyJZXJJZIHVXZCBJ-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978044
2-(4-formyl-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60627472
N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119548920
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
N-[2-(4-chlorophenyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide
CID 112788187
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2709028
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide
CID 113101342
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 4938237
N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696240

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide (CID 7696214) is N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide is Cc1cc(C=O)cc(C)c1OCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The InChIKey is JZXJJZIHVXZCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13-9-16(11-22)10-14(2)19(13)24-12-18(23)21-8-7-15-3-5-17(20)6-4-15/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 7696214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).