2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide

C8H13Cl2NO2 — CID 131085788

IUPAC2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide
SMILESCN(C(=O)C(C)(Cl)Cl)C1CCOC1
InChIInChI=1S/C8H13Cl2NO2/c1-8(9,10)7(12)11(2)6-3-4-13-5-6/h6H,3-5H2,1-2H3
InChIKeyBERWPBHPSNXUQR-UHFFFAOYSA-N
MW226.10 g/mol
LogP1.43
Rot. Bonds2

About 2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide

2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide (PubChem CID 131085788) has the molecular formula C8H13Cl2NO2 and a molecular weight of 226.10 g/mol. Its IUPAC name is 2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide.

Molecular Properties

Compound Name2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide
PubChem CID131085788
Molecular FormulaC8H13Cl2NO2
Molecular Weight226.10 g/mol
Exact Mass225.03
IUPAC Name2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide
SMILESCN(C(=O)C(C)(Cl)Cl)C1CCOC1
InChIInChI=1S/C8H13Cl2NO2/c1-8(9,10)7(12)11(2)6-3-4-13-5-6/h6H,3-5H2,1-2H3
InChIKeyBERWPBHPSNXUQR-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.10
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
CID 115695106
2-fluoro-N,2-dimethyl-N-(oxan-4-yl)propanamide
CID 130165390
2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742753
4-amino-N,4-dimethyl-N-(oxolan-3-yl)pentanamide
CID 81489962
N-methyl-N-(oxolan-3-yl)piperidine-2-carboxamide
CID 82738037
(2R)-2-amino-N,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 82738595
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
2-amino-2-cyclopropyl-N-methyl-N-(oxan-4-yl)propanamide
CID 60867705
2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82732714
3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
CID 82738625
5-[methyl(oxolan-3-yl)amino]-5-oxopentanoic acid
CID 82732881
1-amino-N-methyl-N-(oxolan-3-yl)cyclobutane-1-carboxamide
CID 82738686

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide?
The IUPAC name of 2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide (CID 131085788) is 2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide.
What is the SMILES notation for 2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide?
The canonical SMILES for 2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide is CN(C(=O)C(C)(Cl)Cl)C1CCOC1.
What is the InChIKey of 2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide?
The InChIKey is BERWPBHPSNXUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO2/c1-8(9,10)7(12)11(2)6-3-4-13-5-6/h6H,3-5H2,1-2H3.
What are the key properties of 2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide?
2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide has a molecular weight of 226.10 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide is sourced from PubChem (CID 131085788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).