N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide

C14H22ClNO — CID 114306831

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCC1CCCC1CCl)C1C2CCCC21
InChIInChI=1S/C14H22ClNO/c15-7-9-3-1-4-10(9)8-16-14(17)13-11-5-2-6-12(11)13/h9-13H,1-8H2,(H,16,17)
InChIKeyNDDVBSPESPNDHB-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.80
Rot. Bonds4

About N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide

N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 114306831) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID114306831
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCC1CCCC1CCl)C1C2CCCC21
InChIInChI=1S/C14H22ClNO/c15-7-9-3-1-4-10(9)8-16-14(17)13-11-5-2-6-12(11)13/h9-13H,1-8H2,(H,16,17)
InChIKeyNDDVBSPESPNDHB-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.80
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-hydroxycyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79208729
N-[[2-(chloromethyl)cyclohexyl]methyl]cycloheptanecarboxamide
CID 113273901
N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
CID 114306626
4-tert-butyl-N-[[2-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 114306766
N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide
CID 114823255
N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81479063
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 114306969
N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 115364638
2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide
CID 113273845
trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane
CID 71423224
1,2-bis(chloromethyl)cyclopentane
CID 13129029

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 114306831) is N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide is O=C(NCC1CCCC1CCl)C1C2CCCC21.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is NDDVBSPESPNDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c15-7-9-3-1-4-10(9)8-16-14(17)13-11-5-2-6-12(11)13/h9-13H,1-8H2,(H,16,17).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 255.79 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 114306831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).