N-(2-chloroethyl)-3-cyclohexylpropanamide

C11H20ClNO — CID 61288292

IUPACN-(2-chloroethyl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NCCCl
InChIInChI=1S/C11H20ClNO/c12-8-9-13-11(14)7-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,13,14)
InChIKeyOEJYZIXFLQOVPQ-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.70
Rot. Bonds5

About N-(2-chloroethyl)-3-cyclohexylpropanamide

N-(2-chloroethyl)-3-cyclohexylpropanamide (PubChem CID 61288292) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-cyclohexylpropanamide
PubChem CID61288292
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(2-chloroethyl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NCCCl
InChIInChI=1S/C11H20ClNO/c12-8-9-13-11(14)7-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,13,14)
InChIKeyOEJYZIXFLQOVPQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.70
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

3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
4-chloro-N-(2-cyclopentylethyl)butanamide
CID 63307990
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide
CID 114757993
3-cyclohexyl-N-undecylpropanamide
CID 5146202
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
CID 103969470
4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid
CID 114006236
N-(2-chloroethyl)-2-cyclobutylacetamide
CID 103164388
4-(2-cyclohexylethylamino)-4-oxobutanoic acid
CID 60919559
6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide
CID 106126792

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(2-chloroethyl)-3-cyclohexylpropanamide (CID 61288292) is N-(2-chloroethyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(2-chloroethyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(2-chloroethyl)-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)NCCCl.
What is the InChIKey of N-(2-chloroethyl)-3-cyclohexylpropanamide?
The InChIKey is OEJYZIXFLQOVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-8-9-13-11(14)7-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,13,14).
What are the key properties of N-(2-chloroethyl)-3-cyclohexylpropanamide?
N-(2-chloroethyl)-3-cyclohexylpropanamide has a molecular weight of 217.74 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-cyclohexylpropanamide is sourced from PubChem (CID 61288292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).