2-chloro-N-(1,1-dimethoxyethyl)propanamide

C7H14ClNO3 — CID 56983907

IUPAC2-chloro-N-(1,1-dimethoxyethyl)propanamide
SMILESCOC(C)(NC(=O)C(C)Cl)OC
InChIInChI=1S/C7H14ClNO3/c1-5(8)6(10)9-7(2,11-3)12-4/h5H,1-4H3,(H,9,10)
InChIKeyDAEDRFHJXZZSRM-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.70
Rot. Bonds4

About 2-chloro-N-(1,1-dimethoxyethyl)propanamide

2-chloro-N-(1,1-dimethoxyethyl)propanamide (PubChem CID 56983907) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-chloro-N-(1,1-dimethoxyethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(1,1-dimethoxyethyl)propanamide
PubChem CID56983907
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name2-chloro-N-(1,1-dimethoxyethyl)propanamide
SMILESCOC(C)(NC(=O)C(C)Cl)OC
InChIInChI=1S/C7H14ClNO3/c1-5(8)6(10)9-7(2,11-3)12-4/h5H,1-4H3,(H,9,10)
InChIKeyDAEDRFHJXZZSRM-UHFFFAOYSA-N
XLogP0.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-dimethoxyethyl)propanamide?
The IUPAC name of 2-chloro-N-(1,1-dimethoxyethyl)propanamide (CID 56983907) is 2-chloro-N-(1,1-dimethoxyethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(1,1-dimethoxyethyl)propanamide?
The canonical SMILES for 2-chloro-N-(1,1-dimethoxyethyl)propanamide is COC(C)(NC(=O)C(C)Cl)OC.
What is the InChIKey of 2-chloro-N-(1,1-dimethoxyethyl)propanamide?
The InChIKey is DAEDRFHJXZZSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3/c1-5(8)6(10)9-7(2,11-3)12-4/h5H,1-4H3,(H,9,10).
What are the key properties of 2-chloro-N-(1,1-dimethoxyethyl)propanamide?
2-chloro-N-(1,1-dimethoxyethyl)propanamide has a molecular weight of 195.65 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-dimethoxyethyl)propanamide is sourced from PubChem (CID 56983907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).