2-chloro-N-(3-methoxyoxan-4-yl)acetamide

C8H14ClNO3 — CID 127013218

IUPAC2-chloro-N-(3-methoxyoxan-4-yl)acetamide
SMILESCOC1COCCC1NC(=O)CCl
InChIInChI=1S/C8H14ClNO3/c1-12-7-5-13-3-2-6(7)10-8(11)4-9/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyGGIVJWJXHSFVGX-UHFFFAOYSA-N
MW207.66 g/mol
LogP0.15
Rot. Bonds3

About 2-chloro-N-(3-methoxyoxan-4-yl)acetamide

2-chloro-N-(3-methoxyoxan-4-yl)acetamide (PubChem CID 127013218) has the molecular formula C8H14ClNO3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxyoxan-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxyoxan-4-yl)acetamide
PubChem CID127013218
Molecular FormulaC8H14ClNO3
Molecular Weight207.66 g/mol
Exact Mass207.07
IUPAC Name2-chloro-N-(3-methoxyoxan-4-yl)acetamide
SMILESCOC1COCCC1NC(=O)CCl
InChIInChI=1S/C8H14ClNO3/c1-12-7-5-13-3-2-6(7)10-8(11)4-9/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyGGIVJWJXHSFVGX-UHFFFAOYSA-N
XLogP0.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 91761693
2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide
CID 146098263
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91777227
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91770644
5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 91766028
2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
CID 91788905
N-(4-methoxyoxan-3-yl)acetamide
CID 157037977
N-(3-ethoxyoxan-4-yl)acetamide
CID 131089007
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 91780552
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide
CID 91796929
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
CID 91762361

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxyoxan-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-methoxyoxan-4-yl)acetamide (CID 127013218) is 2-chloro-N-(3-methoxyoxan-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-methoxyoxan-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-methoxyoxan-4-yl)acetamide is COC1COCCC1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(3-methoxyoxan-4-yl)acetamide?
The InChIKey is GGIVJWJXHSFVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO3/c1-12-7-5-13-3-2-6(7)10-8(11)4-9/h6-7H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-chloro-N-(3-methoxyoxan-4-yl)acetamide?
2-chloro-N-(3-methoxyoxan-4-yl)acetamide has a molecular weight of 207.66 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxyoxan-4-yl)acetamide is sourced from PubChem (CID 127013218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).