N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide

C13H15Cl2NO2 — CID 760948

IUPACN-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c14-11-2-1-10(8-12(11)15)16-13(17)7-9-3-5-18-6-4-9/h1-2,8-9H,3-7H2,(H,16,17)
InChIKeyGKVYYJGTKBSWLU-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.75
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide

N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide (PubChem CID 760948) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide
PubChem CID760948
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC NameN-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c14-11-2-1-10(8-12(11)15)16-13(17)7-9-3-5-18-6-4-9/h1-2,8-9H,3-7H2,(H,16,17)
InChIKeyGKVYYJGTKBSWLU-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide (CID 760948) is N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide?
The InChIKey is GKVYYJGTKBSWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-11-2-1-10(8-12(11)15)16-13(17)7-9-3-5-18-6-4-9/h1-2,8-9H,3-7H2,(H,16,17).
What are the key properties of N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide?
N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide has a molecular weight of 288.17 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 760948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).