N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide

C8H13Cl2NO — CID 123355410

IUPACN-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C8H13Cl2NO/c1-5(2)7(12)11-4-6-3-8(6,9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyOLSKJRZCVABXHF-UHFFFAOYSA-N
MW210.10 g/mol
LogP1.95
Rot. Bonds3

About N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide

N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide (PubChem CID 123355410) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide
PubChem CID123355410
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC NameN-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C8H13Cl2NO/c1-5(2)7(12)11-4-6-3-8(6,9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyOLSKJRZCVABXHF-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide (CID 123355410) is N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide is CC(C)C(=O)NCC1CC1(Cl)Cl.
What is the InChIKey of N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide?
The InChIKey is OLSKJRZCVABXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c1-5(2)7(12)11-4-6-3-8(6,9)10/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide?
N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide has a molecular weight of 210.10 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 123355410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).