2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride

C7H13Cl2NO2 — CID 143235594

IUPAC2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CCl)NCC1CCCO1
InChIInChI=1S/C7H12ClNO2.ClH/c8-4-7(10)9-5-6-2-1-3-11-6;/h6H,1-5H2,(H,9,10);1H
InChIKeyJDNAQJJXHVPCBM-UHFFFAOYSA-N
MW214.09 g/mol
LogP0.94
Rot. Bonds3

About 2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride

2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride (PubChem CID 143235594) has the molecular formula C7H13Cl2NO2 and a molecular weight of 214.09 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
PubChem CID143235594
Molecular FormulaC7H13Cl2NO2
Molecular Weight214.09 g/mol
Exact Mass213.03
IUPAC Name2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CCl)NCC1CCCO1
InChIInChI=1S/C7H12ClNO2.ClH/c8-4-7(10)9-5-6-2-1-3-11-6;/h6H,1-5H2,(H,9,10);1H
InChIKeyJDNAQJJXHVPCBM-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium
CID 7437115
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
N-(oxolan-2-ylmethyl)prop-2-enamide
CID 15332973
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride (CID 143235594) is 2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(CCl)NCC1CCCO1.
What is the InChIKey of 2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is JDNAQJJXHVPCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2.ClH/c8-4-7(10)9-5-6-2-1-3-11-6;/h6H,1-5H2,(H,9,10);1H.
What are the key properties of 2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride?
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 214.09 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 143235594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).