N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide

C14H24ClNO — CID 55187406

IUPACN-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCCl)C1CCCC1
InChIInChI=1S/C14H24ClNO/c15-10-11-16(13-8-4-5-9-13)14(17)12-6-2-1-3-7-12/h12-13H,1-11H2
InChIKeyVNVFQWHHXFJFIA-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.58
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide

N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide (PubChem CID 55187406) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
PubChem CID55187406
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC NameN-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCCl)C1CCCC1
InChIInChI=1S/C14H24ClNO/c15-10-11-16(13-8-4-5-9-13)14(17)12-6-2-1-3-7-12/h12-13H,1-11H2
InChIKeyVNVFQWHHXFJFIA-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
N-(2-aminoethyl)-N-cyclopentylcyclohexanecarboxamide
CID 63754803
N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide
CID 64906251
N-cyclohexyl-N-ethylcyclobutanecarboxamide
CID 78833458
2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
CID 70554590
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide
CID 82103875
N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)cyclobutanecarboxamide
CID 90607111
N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide
CID 79112456

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide (CID 55187406) is N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide is O=C(C1CCCCC1)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide?
The InChIKey is VNVFQWHHXFJFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c15-10-11-16(13-8-4-5-9-13)14(17)12-6-2-1-3-7-12/h12-13H,1-11H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide?
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide has a molecular weight of 257.80 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide is sourced from PubChem (CID 55187406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).