2-chloro-N-methyl-2-(oxolan-3-yl)acetamide

C7H12ClNO2 — CID 62225479

IUPAC2-chloro-N-methyl-2-(oxolan-3-yl)acetamide
SMILESCNC(=O)C(Cl)C1CCOC1
InChIInChI=1S/C7H12ClNO2/c1-9-7(10)6(8)5-2-3-11-4-5/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyOQVKCYGLEIPABR-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.38
Rot. Bonds2

About 2-chloro-N-methyl-2-(oxolan-3-yl)acetamide

2-chloro-N-methyl-2-(oxolan-3-yl)acetamide (PubChem CID 62225479) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 2-chloro-N-methyl-2-(oxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-2-(oxolan-3-yl)acetamide
PubChem CID62225479
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name2-chloro-N-methyl-2-(oxolan-3-yl)acetamide
SMILESCNC(=O)C(Cl)C1CCOC1
InChIInChI=1S/C7H12ClNO2/c1-9-7(10)6(8)5-2-3-11-4-5/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyOQVKCYGLEIPABR-UHFFFAOYSA-N
XLogP0.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(oxolan-3-yl)-N-propan-2-ylacetamide
CID 62226827
methyl (2S)-2-chloro-2-[(3S)-oxolan-3-yl]acetate
CID 94376600
hydroxymethyl 2-chloro-2-(oxolan-3-yl)acetate
CID 88920668
1-methyl-3-[1-(oxolan-3-yl)propyl]urea
CID 131131539
2-methoxy-N-methyl-2-(oxetan-3-yl)acetamide
CID 175865848
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
2-methoxy-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 115648955
2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
CID 115868590
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
(E)-2-methyl-4,4-bis(oxolan-3-yl)but-2-enoic acid
CID 69040622
N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine
CID 65330243
N-methyl-2-(oxolan-3-ylcarbamoylamino)propanamide
CID 115758780

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-2-(oxolan-3-yl)acetamide?
The IUPAC name of 2-chloro-N-methyl-2-(oxolan-3-yl)acetamide (CID 62225479) is 2-chloro-N-methyl-2-(oxolan-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-2-(oxolan-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-2-(oxolan-3-yl)acetamide is CNC(=O)C(Cl)C1CCOC1.
What is the InChIKey of 2-chloro-N-methyl-2-(oxolan-3-yl)acetamide?
The InChIKey is OQVKCYGLEIPABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-9-7(10)6(8)5-2-3-11-4-5/h5-6H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-chloro-N-methyl-2-(oxolan-3-yl)acetamide?
2-chloro-N-methyl-2-(oxolan-3-yl)acetamide has a molecular weight of 177.63 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-2-(oxolan-3-yl)acetamide is sourced from PubChem (CID 62225479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).