2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide

C15H24ClNO — CID 106365961

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide
SMILESO=C(CC1CC2CCC1C2)NC1CCCC1CCl
InChIInChI=1S/C15H24ClNO/c16-9-12-2-1-3-14(12)17-15(18)8-13-7-10-4-5-11(13)6-10/h10-14H,1-9H2,(H,17,18)
InChIKeyMFQSEULZBNZMJL-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.34
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide (PubChem CID 106365961) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide
PubChem CID106365961
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide
SMILESO=C(CC1CC2CCC1C2)NC1CCCC1CCl
InChIInChI=1S/C15H24ClNO/c16-9-12-2-1-3-14(12)17-15(18)8-13-7-10-4-5-11(13)6-10/h10-14H,1-9H2,(H,17,18)
InChIKeyMFQSEULZBNZMJL-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.34
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

2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide
CID 113273845
N-[2-(chloromethyl)cyclopentyl]-2-cyclopropylacetamide
CID 106365797
N-[2-(chloromethyl)cyclohexyl]-2-cyclopentylacetamide
CID 106366838
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide
CID 114309119
N-[2-(chloromethyl)cyclopentyl]butanamide
CID 106365880
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031304
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide
CID 43652801
2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119449433
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 18558210

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide (CID 106365961) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide is O=C(CC1CC2CCC1C2)NC1CCCC1CCl.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide?
The InChIKey is MFQSEULZBNZMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c16-9-12-2-1-3-14(12)17-15(18)8-13-7-10-4-5-11(13)6-10/h10-14H,1-9H2,(H,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide has a molecular weight of 269.82 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide is sourced from PubChem (CID 106365961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).