3-chloro-N-propan-2-yloxypropanamide

C6H12ClNO2 — CID 130815573

IUPAC3-chloro-N-propan-2-yloxypropanamide
SMILESCC(C)ONC(=O)CCCl
InChIInChI=1S/C6H12ClNO2/c1-5(2)10-8-6(9)3-4-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyWXUAOAFKKUWTKV-UHFFFAOYSA-N
MW165.62 g/mol
LogP1.07
Rot. Bonds4

About 3-chloro-N-propan-2-yloxypropanamide

3-chloro-N-propan-2-yloxypropanamide (PubChem CID 130815573) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 3-chloro-N-propan-2-yloxypropanamide.

Molecular Properties

Compound Name3-chloro-N-propan-2-yloxypropanamide
PubChem CID130815573
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name3-chloro-N-propan-2-yloxypropanamide
SMILESCC(C)ONC(=O)CCCl
InChIInChI=1S/C6H12ClNO2/c1-5(2)10-8-6(9)3-4-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyWXUAOAFKKUWTKV-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-propan-2-yloxypropanamide?
The IUPAC name of 3-chloro-N-propan-2-yloxypropanamide (CID 130815573) is 3-chloro-N-propan-2-yloxypropanamide.
What is the SMILES notation for 3-chloro-N-propan-2-yloxypropanamide?
The canonical SMILES for 3-chloro-N-propan-2-yloxypropanamide is CC(C)ONC(=O)CCCl.
What is the InChIKey of 3-chloro-N-propan-2-yloxypropanamide?
The InChIKey is WXUAOAFKKUWTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-5(2)10-8-6(9)3-4-7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 3-chloro-N-propan-2-yloxypropanamide?
3-chloro-N-propan-2-yloxypropanamide has a molecular weight of 165.62 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-propan-2-yloxypropanamide is sourced from PubChem (CID 130815573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).