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

C6H9Cl2NO — CID 131042043

IUPACN-[(2,2-dichlorocyclopropyl)methyl]acetamide
SMILESCC(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C6H9Cl2NO/c1-4(10)9-3-5-2-6(5,7)8/h5H,2-3H2,1H3,(H,9,10)
InChIKeySJPLWAUWPJKQOR-UHFFFAOYSA-N
MW182.05 g/mol
LogP1.32
Rot. Bonds2

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

N-[(2,2-dichlorocyclopropyl)methyl]acetamide (PubChem CID 131042043) has the molecular formula C6H9Cl2NO and a molecular weight of 182.05 g/mol. Its IUPAC name is N-[(2,2-dichlorocyclopropyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,2-dichlorocyclopropyl)methyl]acetamide
PubChem CID131042043
Molecular FormulaC6H9Cl2NO
Molecular Weight182.05 g/mol
Exact Mass181.01
IUPAC NameN-[(2,2-dichlorocyclopropyl)methyl]acetamide
SMILESCC(=O)NCC1CC1(Cl)Cl
InChIInChI=1S/C6H9Cl2NO/c1-4(10)9-3-5-2-6(5,7)8/h5H,2-3H2,1H3,(H,9,10)
InChIKeySJPLWAUWPJKQOR-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2-dichlorocyclopropyl)ethyl]-2,2-dimethylpropanamide
CID 2805887
(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 95235951
2-chloro-2-fluoro-N-propylcyclopropane-1-carboxamide
CID 123856888
N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide
CID 130831642
2,2,2-trichloro-N-(3-methylbutyl)acetamide
CID 3633141
2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide
CID 86921284
2,2,2-trichloro-N-(cyclopropylmethyl)acetamide
CID 19044809
2,2-Dichloro-1-methyl-cyclopropanecarboxylic-acid ethylamide
CID 44138896
4,4,4-trichloro-N-ethylbutanamide
CID 54415925
N-(3,3,3-trichloropropyl)acetamide
CID 57324895
N-(2-chloroethyl)acetamide;chloromethylcyclopropane
CID 67602394
N-(cyclopropylmethyl)acetamide;hydrochloride
CID 69089341

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dichlorocyclopropyl)methyl]acetamide?
The IUPAC name of N-[(2,2-dichlorocyclopropyl)methyl]acetamide (CID 131042043) is N-[(2,2-dichlorocyclopropyl)methyl]acetamide.
What is the SMILES notation for N-[(2,2-dichlorocyclopropyl)methyl]acetamide?
The canonical SMILES for N-[(2,2-dichlorocyclopropyl)methyl]acetamide is CC(=O)NCC1CC1(Cl)Cl.
What is the InChIKey of N-[(2,2-dichlorocyclopropyl)methyl]acetamide?
The InChIKey is SJPLWAUWPJKQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2NO/c1-4(10)9-3-5-2-6(5,7)8/h5H,2-3H2,1H3,(H,9,10).
What are the key properties of N-[(2,2-dichlorocyclopropyl)methyl]acetamide?
N-[(2,2-dichlorocyclopropyl)methyl]acetamide has a molecular weight of 182.05 g/mol, XLogP of 1.32, 2 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]acetamide is sourced from PubChem (CID 131042043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).