N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide

C13H22ClNO — CID 102872561

IUPACN-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCCl)C1CCC1
InChIInChI=1S/C13H22ClNO/c14-9-10-15(12-7-4-8-12)13(16)11-5-2-1-3-6-11/h11-12H,1-10H2
InChIKeyVNMLIMSLQMIMNK-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.19
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide

N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide (PubChem CID 102872561) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
PubChem CID102872561
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC NameN-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCCl)C1CCC1
InChIInChI=1S/C13H22ClNO/c14-9-10-15(12-7-4-8-12)13(16)11-5-2-1-3-6-11/h11-12H,1-10H2
InChIKeyVNMLIMSLQMIMNK-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.19
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-cyclopentylcyclohexanecarboxamide
CID 55187406
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-cyclobutylcyclohexanecarboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide (CID 102872561) is N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide is O=C(C1CCCCC1)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide?
The InChIKey is VNMLIMSLQMIMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c14-9-10-15(12-7-4-8-12)13(16)11-5-2-1-3-6-11/h11-12H,1-10H2.
What are the key properties of N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide?
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide has a molecular weight of 243.78 g/mol, XLogP of 3.19, 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-cyclobutylcyclohexanecarboxamide is sourced from PubChem (CID 102872561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).