2-chloro-N-(1-methoxypropan-2-yl)acetamide

C6H12ClNO2 — CID 3161246

IUPAC2-chloro-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CCl
InChIInChI=1S/C6H12ClNO2/c1-5(4-10-2)8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyKVDXSPZBMCWJLL-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.38
Rot. Bonds4

About 2-chloro-N-(1-methoxypropan-2-yl)acetamide

2-chloro-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 3161246) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)acetamide
PubChem CID3161246
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CCl
InChIInChI=1S/C6H12ClNO2/c1-5(4-10-2)8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyKVDXSPZBMCWJLL-UHFFFAOYSA-N
XLogP0.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.38
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-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)acetamide (CID 3161246) is 2-chloro-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is KVDXSPZBMCWJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-5(4-10-2)8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)acetamide?
2-chloro-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 165.62 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 3161246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).