2-chloro-N-ethylacetamide;hydrochloride

C4H9Cl2NO — CID 141251564

IUPAC2-chloro-N-ethylacetamide;hydrochloride
SMILESCCNC(=O)CCl.Cl
InChIInChI=1S/C4H8ClNO.ClH/c1-2-6-4(7)3-5;/h2-3H2,1H3,(H,6,7);1H
InChIKeyYKXLTKXGBDDASV-UHFFFAOYSA-N
MW158.03 g/mol
LogP0.78
Rot. Bonds2

About 2-chloro-N-ethylacetamide;hydrochloride

2-chloro-N-ethylacetamide;hydrochloride (PubChem CID 141251564) has the molecular formula C4H9Cl2NO and a molecular weight of 158.03 g/mol. Its IUPAC name is 2-chloro-N-ethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-ethylacetamide;hydrochloride
PubChem CID141251564
Molecular FormulaC4H9Cl2NO
Molecular Weight158.03 g/mol
Exact Mass157.01
IUPAC Name2-chloro-N-ethylacetamide;hydrochloride
SMILESCCNC(=O)CCl.Cl
InChIInChI=1S/C4H8ClNO.ClH/c1-2-6-4(7)3-5;/h2-3H2,1H3,(H,6,7);1H
InChIKeyYKXLTKXGBDDASV-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.03
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(ethylcarbamoyl)acetamide
CID 2304790
N,N'-diethylpropanediamide
CID 4600245
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
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2-chloro-N-dotriacontylacetamide
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N-ethyl-2-(methylamino)acetamide;hydrochloride
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2-[[(E)-4-chlorobut-2-enyl]amino]-N-ethylacetamide
CID 81429794
2-chloro-N-(2-ethylsulfanylethyl)acetamide
CID 82110577
2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65105640
CID 175477494
CID 175477494
CID 59970835
CID 59970835
2-chloro-N-(iodomethyl)acetamide
CID 89347854
[2-(ethylamino)-2-oxoethyl]azanium
CID 7128769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethylacetamide;hydrochloride?
The IUPAC name of 2-chloro-N-ethylacetamide;hydrochloride (CID 141251564) is 2-chloro-N-ethylacetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-ethylacetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-ethylacetamide;hydrochloride is CCNC(=O)CCl.Cl.
What is the InChIKey of 2-chloro-N-ethylacetamide;hydrochloride?
The InChIKey is YKXLTKXGBDDASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO.ClH/c1-2-6-4(7)3-5;/h2-3H2,1H3,(H,6,7);1H.
What are the key properties of 2-chloro-N-ethylacetamide;hydrochloride?
2-chloro-N-ethylacetamide;hydrochloride has a molecular weight of 158.03 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethylacetamide;hydrochloride is sourced from PubChem (CID 141251564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).