N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide

C14H22ClNO — CID 114301118

IUPACN-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NC1CCCCC1Cl)C1C2CCCCC21
InChIInChI=1S/C14H22ClNO/c15-11-7-3-4-8-12(11)16-14(17)13-9-5-1-2-6-10(9)13/h9-13H,1-8H2,(H,16,17)
InChIKeySTODKIOXHHVOMS-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.09
Rot. Bonds2

About N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 114301118) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID114301118
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NC1CCCCC1Cl)C1C2CCCCC21
InChIInChI=1S/C14H22ClNO/c15-11-7-3-4-8-12(11)16-14(17)13-9-5-1-2-6-10(9)13/h9-13H,1-8H2,(H,16,17)
InChIKeySTODKIOXHHVOMS-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.09
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-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106443809
N-(2-chlorocyclopentyl)adamantane-2-carboxamide
CID 106443807
N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 106444042
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-(2-chlorocyclohexyl)-1,1-dioxothiane-2-carboxamide
CID 113422495
N-cyclohexylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600191
3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide
CID 18526970
N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide
CID 40530963
N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide
CID 106443963
S-ethyl N-[(1R,2R)-2-chlorocyclohexyl]carbamothioate
CID 51415768
S-ethyl N-[(2S)-2-chlorocyclohexyl]carbamothioate
CID 18529331
N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127715

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 114301118) is N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(NC1CCCCC1Cl)C1C2CCCCC21.
What is the InChIKey of N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is STODKIOXHHVOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c15-11-7-3-4-8-12(11)16-14(17)13-9-5-1-2-6-10(9)13/h9-13H,1-8H2,(H,16,17).
What are the key properties of N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 255.79 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 114301118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).