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

C16H26ClNO — CID 113273845

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide
SMILESO=C(CC1CC2CCC1C2)NCC1CCCC1CCl
InChIInChI=1S/C16H26ClNO/c17-9-13-2-1-3-14(13)10-18-16(19)8-15-7-11-4-5-12(15)6-11/h11-15H,1-10H2,(H,18,19)
InChIKeyHQQIENXEOBHUBC-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.58
Rot. Bonds5

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

2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide (PubChem CID 113273845) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide
PubChem CID113273845
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide
SMILESO=C(CC1CC2CCC1C2)NCC1CCCC1CCl
InChIInChI=1S/C16H26ClNO/c17-9-13-2-1-3-14(13)10-18-16(19)8-15-7-11-4-5-12(15)6-11/h11-15H,1-10H2,(H,18,19)
InChIKeyHQQIENXEOBHUBC-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.58
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 2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide (CID 113273845) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide is O=C(CC1CC2CCC1C2)NCC1CCCC1CCl.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide?
The InChIKey is HQQIENXEOBHUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c17-9-13-2-1-3-14(13)10-18-16(19)8-15-7-11-4-5-12(15)6-11/h11-15H,1-10H2,(H,18,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide has a molecular weight of 283.84 g/mol, XLogP of 3.58, 5 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]methyl]acetamide is sourced from PubChem (CID 113273845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).