2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide

C7H12ClNO3 — CID 19032062

IUPAC2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide
SMILESO=C(CCl)NCCC1OCCO1
InChIInChI=1S/C7H12ClNO3/c8-5-6(10)9-2-1-7-11-3-4-12-7/h7H,1-5H2,(H,9,10)
InChIKeyDTXOTVZTOMCKRD-UHFFFAOYSA-N
MW193.63 g/mol
LogP0.10
Rot. Bonds4

About 2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide

2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide (PubChem CID 19032062) has the molecular formula C7H12ClNO3 and a molecular weight of 193.63 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide
PubChem CID19032062
Molecular FormulaC7H12ClNO3
Molecular Weight193.63 g/mol
Exact Mass193.05
IUPAC Name2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide
SMILESO=C(CCl)NCCC1OCCO1
InChIInChI=1S/C7H12ClNO3/c8-5-6(10)9-2-1-7-11-3-4-12-7/h7H,1-5H2,(H,9,10)
InChIKeyDTXOTVZTOMCKRD-UHFFFAOYSA-N
XLogP0.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-cyclobutylethyl)acetamide
CID 115879965
3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea
CID 110369964
N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 14952151
2-(1,3-dioxolan-2-yl)-N-iodoethanamine
CID 143150513
N-[2-(1,3-dioxolan-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 110369950
N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110369967
2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide
CID 130684184
4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 110369907
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
N-(2-bromoethyl)-2-chloroacetamide
CID 71407386
1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea
CID 110669285
N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide
CID 110369952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide (CID 19032062) is 2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide is O=C(CCl)NCCC1OCCO1.
What is the InChIKey of 2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide?
The InChIKey is DTXOTVZTOMCKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO3/c8-5-6(10)9-2-1-7-11-3-4-12-7/h7H,1-5H2,(H,9,10).
What are the key properties of 2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide?
2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide has a molecular weight of 193.63 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 19032062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).