2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide

C15H11Cl4NO3 — CID 158457081

IUPAC2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide
SMILESNC(=O)C(O)c1c(Cl)cccc1Cl.O=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO2.C7H4Cl2O/c9-4-2-1-3-5(10)6(4)7(12)8(11)13;8-6-2-1-3-7(9)5(6)4-10/h1-3,7,12H,(H2,11,13);1-4H
InChIKeyHERZUADFNCIUBK-UHFFFAOYSA-N
MW395.07 g/mol
LogP4.32
Rot. Bonds3

About 2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide

2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide (PubChem CID 158457081) has the molecular formula C15H11Cl4NO3 and a molecular weight of 395.07 g/mol. Its IUPAC name is 2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound Name2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide
PubChem CID158457081
Molecular FormulaC15H11Cl4NO3
Molecular Weight395.07 g/mol
Exact Mass392.95
IUPAC Name2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide
SMILESNC(=O)C(O)c1c(Cl)cccc1Cl.O=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO2.C7H4Cl2O/c9-4-2-1-3-5(10)6(4)7(12)8(11)13;8-6-2-1-3-7(9)5(6)4-10/h1-3,7,12H,(H2,11,13);1-4H
InChIKeyHERZUADFNCIUBK-UHFFFAOYSA-N
XLogP4.32
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.07
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichlorobenzaldehyde;ethane
CID 90823593
2-(2-chloronaphthalen-1-yl)-2-hydroxyacetamide;hydrochloride
CID 158320932
2,6-dichlorobenzaldehyde;4-methylbenzaldehyde
CID 19356894
2-(3-chloro-N-ethyl-2-formylanilino)butanamide
CID 123641552
3-[(2,6-dichlorophenyl)methylamino]-2-hydroxypropanamide
CID 106170892
2-(3-chloro-2-formylphenoxy)benzamide
CID 28603903
2-chloro-6-(3-hydroxybutan-2-ylsulfanyl)benzaldehyde
CID 107772138
2-chloro-6-iodobenzaldehyde
CID 58951891
3-(3-chloro-2-formylphenyl)prop-2-enoic acid
CID 169460426
2-(2,6-dichlorophenyl)-2-(propan-2-ylamino)acetamide
CID 60787013
2-(aminomethyl)-6-chlorobenzaldehyde
CID 174425171
1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide
CID 28603686

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide?
The IUPAC name of 2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide (CID 158457081) is 2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide.
What is the SMILES notation for 2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide?
The canonical SMILES for 2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide is NC(=O)C(O)c1c(Cl)cccc1Cl.O=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide?
The InChIKey is HERZUADFNCIUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2.C7H4Cl2O/c9-4-2-1-3-5(10)6(4)7(12)8(11)13;8-6-2-1-3-7(9)5(6)4-10/h1-3,7,12H,(H2,11,13);1-4H.
What are the key properties of 2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide?
2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide has a molecular weight of 395.07 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 158457081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).