2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

C7H12ClNO3 — CID 106765719

IUPAC2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
SMILESO=C(CCl)NCC1(O)CCOC1
InChIInChI=1S/C7H12ClNO3/c8-3-6(10)9-4-7(11)1-2-12-5-7/h11H,1-5H2,(H,9,10)
InChIKeyUGRFPGXRQVAOGJ-UHFFFAOYSA-N
MW193.63 g/mol
LogP-0.51
Rot. Bonds3

About 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide (PubChem CID 106765719) has the molecular formula C7H12ClNO3 and a molecular weight of 193.63 g/mol. Its IUPAC name is 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
PubChem CID106765719
Molecular FormulaC7H12ClNO3
Molecular Weight193.63 g/mol
Exact Mass193.05
IUPAC Name2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
SMILESO=C(CCl)NCC1(O)CCOC1
InChIInChI=1S/C7H12ClNO3/c8-3-6(10)9-4-7(11)1-2-12-5-7/h11H,1-5H2,(H,9,10)
InChIKeyUGRFPGXRQVAOGJ-UHFFFAOYSA-N
XLogP-0.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
5-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
CID 106103197
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 103848866
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536
3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101542
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide
CID 106102852
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide (CID 106765719) is 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide is O=C(CCl)NCC1(O)CCOC1.
What is the InChIKey of 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The InChIKey is UGRFPGXRQVAOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO3/c8-3-6(10)9-4-7(11)1-2-12-5-7/h11H,1-5H2,(H,9,10).
What are the key properties of 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide has a molecular weight of 193.63 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 106765719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).