2-chloro-N-(2,2-diethoxyethyl)acetamide

C8H16ClNO3 — CID 12663166

IUPAC2-chloro-N-(2,2-diethoxyethyl)acetamide
SMILESCCOC(CNC(=O)CCl)OCC
InChIInChI=1S/C8H16ClNO3/c1-3-12-8(13-4-2)6-10-7(11)5-9/h8H,3-6H2,1-2H3,(H,10,11)
InChIKeyPDFYDALWSHJVAT-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.74
Rot. Bonds7

About 2-chloro-N-(2,2-diethoxyethyl)acetamide

2-chloro-N-(2,2-diethoxyethyl)acetamide (PubChem CID 12663166) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 2-chloro-N-(2,2-diethoxyethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-diethoxyethyl)acetamide
PubChem CID12663166
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name2-chloro-N-(2,2-diethoxyethyl)acetamide
SMILESCCOC(CNC(=O)CCl)OCC
InChIInChI=1S/C8H16ClNO3/c1-3-12-8(13-4-2)6-10-7(11)5-9/h8H,3-6H2,1-2H3,(H,10,11)
InChIKeyPDFYDALWSHJVAT-UHFFFAOYSA-N
XLogP0.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.74
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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Related Compounds

N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867
N-(2,2-diethoxyethyl)butanamide
CID 79548415
N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide
CID 79547706
N-(2,2-diethoxyethyl)hexanamide
CID 79547284
5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 79548215
5-amino-N-(2,2-diethoxyethyl)pentanamide
CID 79547358
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447
2,6-dichloro-N-(2,2-diethoxyethyl)benzamide
CID 79547463
2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide
CID 79853724
3,3-diethoxypropylcarbamic acid
CID 21075732
2-amino-N-(2,2-diethoxyethyl)-2-methylpropanamide
CID 79548402

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-diethoxyethyl)acetamide?
The IUPAC name of 2-chloro-N-(2,2-diethoxyethyl)acetamide (CID 12663166) is 2-chloro-N-(2,2-diethoxyethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,2-diethoxyethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,2-diethoxyethyl)acetamide is CCOC(CNC(=O)CCl)OCC.
What is the InChIKey of 2-chloro-N-(2,2-diethoxyethyl)acetamide?
The InChIKey is PDFYDALWSHJVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3/c1-3-12-8(13-4-2)6-10-7(11)5-9/h8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-chloro-N-(2,2-diethoxyethyl)acetamide?
2-chloro-N-(2,2-diethoxyethyl)acetamide has a molecular weight of 209.67 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-diethoxyethyl)acetamide is sourced from PubChem (CID 12663166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).