2-chloro-N-(4-methyloxan-4-yl)acetamide

C8H14ClNO2 — CID 18437326

IUPAC2-chloro-N-(4-methyloxan-4-yl)acetamide
SMILESCC1(NC(=O)CCl)CCOCC1
InChIInChI=1S/C8H14ClNO2/c1-8(10-7(11)6-9)2-4-12-5-3-8/h2-6H2,1H3,(H,10,11)
InChIKeySCZLWAUHZWCVOS-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.91
Rot. Bonds2

About 2-chloro-N-(4-methyloxan-4-yl)acetamide

2-chloro-N-(4-methyloxan-4-yl)acetamide (PubChem CID 18437326) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-chloro-N-(4-methyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyloxan-4-yl)acetamide
PubChem CID18437326
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-chloro-N-(4-methyloxan-4-yl)acetamide
SMILESCC1(NC(=O)CCl)CCOCC1
InChIInChI=1S/C8H14ClNO2/c1-8(10-7(11)6-9)2-4-12-5-3-8/h2-6H2,1H3,(H,10,11)
InChIKeySCZLWAUHZWCVOS-UHFFFAOYSA-N
XLogP0.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-methyloxan-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-methyloxan-4-yl)acetamide (CID 18437326) is 2-chloro-N-(4-methyloxan-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-methyloxan-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-methyloxan-4-yl)acetamide is CC1(NC(=O)CCl)CCOCC1.
What is the InChIKey of 2-chloro-N-(4-methyloxan-4-yl)acetamide?
The InChIKey is SCZLWAUHZWCVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-8(10-7(11)6-9)2-4-12-5-3-8/h2-6H2,1H3,(H,10,11).
What are the key properties of 2-chloro-N-(4-methyloxan-4-yl)acetamide?
2-chloro-N-(4-methyloxan-4-yl)acetamide has a molecular weight of 191.66 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyloxan-4-yl)acetamide is sourced from PubChem (CID 18437326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).