N-(2-chloroethyl)-2-cyclobutylacetamide

C8H14ClNO — CID 103164388

IUPACN-(2-chloroethyl)-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NCCCl
InChIInChI=1S/C8H14ClNO/c9-4-5-10-8(11)6-7-2-1-3-7/h7H,1-6H2,(H,10,11)
InChIKeyJDJVGPXYMCGKMO-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.53
Rot. Bonds4

About N-(2-chloroethyl)-2-cyclobutylacetamide

N-(2-chloroethyl)-2-cyclobutylacetamide (PubChem CID 103164388) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-cyclobutylacetamide
PubChem CID103164388
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC NameN-(2-chloroethyl)-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NCCCl
InChIInChI=1S/C8H14ClNO/c9-4-5-10-8(11)6-7-2-1-3-7/h7H,1-6H2,(H,10,11)
InChIKeyJDJVGPXYMCGKMO-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.53
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-chloroethoxy)ethyl]-2-cyclobutylacetamide
CID 103166701
2-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 103799929
N-(3-bromopropyl)-2-cyclobutylacetamide
CID 103164386
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
N-but-3-ynyl-2-cyclobutylacetamide
CID 103707500
N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide
CID 103164392
N-(5-bromopentyl)-2-cyclobutylacetamide
CID 107322053
2-chloro-N-(2-cyclobutylethyl)acetamide
CID 115879965
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
N-(4-cyanobutyl)-2-cyclobutylacetamide
CID 103707324
N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015576
N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide
CID 106157136

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-cyclobutylacetamide?
The IUPAC name of N-(2-chloroethyl)-2-cyclobutylacetamide (CID 103164388) is N-(2-chloroethyl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(2-chloroethyl)-2-cyclobutylacetamide?
The canonical SMILES for N-(2-chloroethyl)-2-cyclobutylacetamide is O=C(CC1CCC1)NCCCl.
What is the InChIKey of N-(2-chloroethyl)-2-cyclobutylacetamide?
The InChIKey is JDJVGPXYMCGKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c9-4-5-10-8(11)6-7-2-1-3-7/h7H,1-6H2,(H,10,11).
What are the key properties of N-(2-chloroethyl)-2-cyclobutylacetamide?
N-(2-chloroethyl)-2-cyclobutylacetamide has a molecular weight of 175.66 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-cyclobutylacetamide is sourced from PubChem (CID 103164388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).