2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide

C8H14ClNO3 — CID 104759835

IUPAC2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
SMILESCOC1(CNC(=O)CCl)CCOC1
InChIInChI=1S/C8H14ClNO3/c1-12-8(2-3-13-6-8)5-10-7(11)4-9/h2-6H2,1H3,(H,10,11)
InChIKeyWXHHDNZUMXQTNY-UHFFFAOYSA-N
MW207.66 g/mol
LogP0.15
Rot. Bonds4

About 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide

2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide (PubChem CID 104759835) has the molecular formula C8H14ClNO3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
PubChem CID104759835
Molecular FormulaC8H14ClNO3
Molecular Weight207.66 g/mol
Exact Mass207.07
IUPAC Name2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
SMILESCOC1(CNC(=O)CCl)CCOC1
InChIInChI=1S/C8H14ClNO3/c1-12-8(2-3-13-6-8)5-10-7(11)4-9/h2-6H2,1H3,(H,10,11)
InChIKeyWXHHDNZUMXQTNY-UHFFFAOYSA-N
XLogP0.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide (CID 104759835) is 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide is COC1(CNC(=O)CCl)CCOC1.
What is the InChIKey of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
The InChIKey is WXHHDNZUMXQTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO3/c1-12-8(2-3-13-6-8)5-10-7(11)4-9/h2-6H2,1H3,(H,10,11).
What are the key properties of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide has a molecular weight of 207.66 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 104759835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).