N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide

C15H26ClNO — CID 114459061

IUPACN-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)NC1(CCl)CCCC1
InChIInChI=1S/C15H26ClNO/c16-12-15(9-5-6-10-15)17-14(18)11-13-7-3-1-2-4-8-13/h13H,1-12H2,(H,17,18)
InChIKeyFEXYRASKMUIOGQ-UHFFFAOYSA-N
MW271.83 g/mol
LogP4.01
Rot. Bonds4

About N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide

N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide (PubChem CID 114459061) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide
PubChem CID114459061
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)NC1(CCl)CCCC1
InChIInChI=1S/C15H26ClNO/c16-12-15(9-5-6-10-15)17-14(18)11-13-7-3-1-2-4-8-13/h13H,1-12H2,(H,17,18)
InChIKeyFEXYRASKMUIOGQ-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 54.01
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-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide
CID 114459153
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
CID 114304300
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543
N-[1-(bromomethyl)cyclohexyl]-2-cyclopentylacetamide
CID 114314127
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307
N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide
CID 114459158
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
N-[1-(hydroxymethyl)cyclohexyl]-2-piperidin-4-ylacetamide
CID 62551511
N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide
CID 106300473
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
N-[1-(chloromethyl)cyclopentyl]cycloheptanamine
CID 82937078
N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide
CID 83135530

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide (CID 114459061) is N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide is O=C(CC1CCCCCC1)NC1(CCl)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide?
The InChIKey is FEXYRASKMUIOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c16-12-15(9-5-6-10-15)17-14(18)11-13-7-3-1-2-4-8-13/h13H,1-12H2,(H,17,18).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide?
N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide has a molecular weight of 271.83 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide is sourced from PubChem (CID 114459061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).