N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide

C12H13Cl2NO2 — CID 110696672

IUPACN-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2NO2/c13-9-4-1-5-10(14)12(9)15-11(16)7-8-3-2-6-17-8/h1,4-5,8H,2-3,6-7H2,(H,15,16)
InChIKeyBBKGYISNCLIIKA-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.50
Rot. Bonds3

About N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide

N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide (PubChem CID 110696672) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
PubChem CID110696672
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC NameN-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2NO2/c13-9-4-1-5-10(14)12(9)15-11(16)7-8-3-2-6-17-8/h1,4-5,8H,2-3,6-7H2,(H,15,16)
InChIKeyBBKGYISNCLIIKA-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 95620224
N-(2,6-dipyrrolidin-1-ylphenyl)-2-(oxolan-2-yl)acetamide
CID 56786552
N-(2,6-dichlorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9396214
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
N-(2,6-dichloro-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155701
3-bromo-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
CID 65156898
1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133618
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide
CID 47461932
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95614424

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide (CID 110696672) is N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is BBKGYISNCLIIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-9-4-1-5-10(14)12(9)15-11(16)7-8-3-2-6-17-8/h1,4-5,8H,2-3,6-7H2,(H,15,16).
What are the key properties of N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide?
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 274.15 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 110696672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).