N-[1-(2-chloroacetyl)cyclobutyl]acetamide

C8H12ClNO2 — CID 104701673

IUPACN-[1-(2-chloroacetyl)cyclobutyl]acetamide
SMILESCC(=O)NC1(C(=O)CCl)CCC1
InChIInChI=1S/C8H12ClNO2/c1-6(11)10-8(3-2-4-8)7(12)5-9/h2-5H2,1H3,(H,10,11)
InChIKeyLDCVSEXBTWLGON-UHFFFAOYSA-N
MW189.64 g/mol
LogP0.85
Rot. Bonds3

About N-[1-(2-chloroacetyl)cyclobutyl]acetamide

N-[1-(2-chloroacetyl)cyclobutyl]acetamide (PubChem CID 104701673) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is N-[1-(2-chloroacetyl)cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chloroacetyl)cyclobutyl]acetamide
PubChem CID104701673
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC NameN-[1-(2-chloroacetyl)cyclobutyl]acetamide
SMILESCC(=O)NC1(C(=O)CCl)CCC1
InChIInChI=1S/C8H12ClNO2/c1-6(11)10-8(3-2-4-8)7(12)5-9/h2-5H2,1H3,(H,10,11)
InChIKeyLDCVSEXBTWLGON-UHFFFAOYSA-N
XLogP0.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 50.85
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

N-[1-(2-chloroacetyl)cyclopentyl]acetamide
CID 104701020
N-(1-acetylcyclobutyl)acetamide
CID 59658507
1-acetamidocyclobutane-1-carboxamide
CID 58720910
N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide
CID 104701012
N-[1-(2-chloroacetyl)cyclohexyl]-2,2-difluoroacetamide
CID 103516236
N-[1-(2-chloroacetyl)cyclopropyl]-2,2-difluoroacetamide
CID 103516289
N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide
CID 104701757
1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 47345134
N-(5-ethyl-1-bicyclo[3.1.1]heptanyl)acetamide
CID 146393547
1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide
CID 47345116
propyl N-[1-(2-chloroacetyl)-4-methylcyclohexyl]carbamate
CID 112738913
1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide
CID 130608806

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroacetyl)cyclobutyl]acetamide?
The IUPAC name of N-[1-(2-chloroacetyl)cyclobutyl]acetamide (CID 104701673) is N-[1-(2-chloroacetyl)cyclobutyl]acetamide.
What is the SMILES notation for N-[1-(2-chloroacetyl)cyclobutyl]acetamide?
The canonical SMILES for N-[1-(2-chloroacetyl)cyclobutyl]acetamide is CC(=O)NC1(C(=O)CCl)CCC1.
What is the InChIKey of N-[1-(2-chloroacetyl)cyclobutyl]acetamide?
The InChIKey is LDCVSEXBTWLGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c1-6(11)10-8(3-2-4-8)7(12)5-9/h2-5H2,1H3,(H,10,11).
What are the key properties of N-[1-(2-chloroacetyl)cyclobutyl]acetamide?
N-[1-(2-chloroacetyl)cyclobutyl]acetamide has a molecular weight of 189.64 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroacetyl)cyclobutyl]acetamide is sourced from PubChem (CID 104701673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).