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

C9H16ClNO3 — CID 106100291

IUPAC3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H16ClNO3/c1-7(4-10)8(12)11-5-9(13)2-3-14-6-9/h7,13H,2-6H2,1H3,(H,11,12)
InChIKeyMKQFBJRHYFLJMJ-UHFFFAOYSA-N
MW221.68 g/mol
LogP0.13
Rot. Bonds4

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

3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide (PubChem CID 106100291) has the molecular formula C9H16ClNO3 and a molecular weight of 221.68 g/mol. Its IUPAC name is 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
PubChem CID106100291
Molecular FormulaC9H16ClNO3
Molecular Weight221.68 g/mol
Exact Mass221.08
IUPAC Name3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H16ClNO3/c1-7(4-10)8(12)11-5-9(13)2-3-14-6-9/h7,13H,2-6H2,1H3,(H,11,12)
InChIKeyMKQFBJRHYFLJMJ-UHFFFAOYSA-N
XLogP0.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 50.13
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

2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 126972964
2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 75389359
2-ethyl-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]butanamide
CID 97243046
2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide
CID 97243047
N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 103848909
4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 103848956
3-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848959
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxypropanamide
CID 103848964
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbutanamide
CID 103849291
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide
CID 103849396
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 103849400
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide
CID 103849493

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide (CID 106100291) is 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide is CC(CCl)C(=O)NCC1(O)CCOC1.
What is the InChIKey of 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The InChIKey is MKQFBJRHYFLJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO3/c1-7(4-10)8(12)11-5-9(13)2-3-14-6-9/h7,13H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide has a molecular weight of 221.68 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 106100291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).