2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide

C19H19Cl2NO3 — CID 28913352

IUPAC2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C19H19Cl2NO3/c1-3-12-6-5-7-13(4-2)18(12)22-17(24)11-25-19-14(10-23)8-15(20)9-16(19)21/h5-10H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyIIGJKKSBGPKMTM-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.95
Rot. Bonds7

About 2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide

2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide (PubChem CID 28913352) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide
PubChem CID28913352
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C19H19Cl2NO3/c1-3-12-6-5-7-13(4-2)18(12)22-17(24)11-25-19-14(10-23)8-15(20)9-16(19)21/h5-10H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyIIGJKKSBGPKMTM-UHFFFAOYSA-N
XLogP4.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.95
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

2-(3,5-dichlorophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7467237
N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide
CID 43516026
N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409164
N-(2,6-diethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 7467725
N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178089
tert-butyl 2-(2,4-dichloro-6-formylphenoxy)acetate
CID 18353685
2-(2-ethoxyphenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 7613010
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 1191215
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847332
N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 78767853
3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 55098579

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide (CID 28913352) is 2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)COc1c(Cl)cc(Cl)cc1C=O.
What is the InChIKey of 2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide?
The InChIKey is IIGJKKSBGPKMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-3-12-6-5-7-13(4-2)18(12)22-17(24)11-25-19-14(10-23)8-15(20)9-16(19)21/h5-10H,3-4,11H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide?
2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide has a molecular weight of 380.27 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 28913352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).