2-chloro-N-(1-ethylcyclohexyl)acetamide

C10H18ClNO — CID 58186241

IUPAC2-chloro-N-(1-ethylcyclohexyl)acetamide
SMILESCCC1(NC(=O)CCl)CCCCC1
InChIInChI=1S/C10H18ClNO/c1-2-10(12-9(13)8-11)6-4-3-5-7-10/h2-8H2,1H3,(H,12,13)
InChIKeyZVJPCYVGQZKQCQ-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.45
Rot. Bonds3

About 2-chloro-N-(1-ethylcyclohexyl)acetamide

2-chloro-N-(1-ethylcyclohexyl)acetamide (PubChem CID 58186241) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-chloro-N-(1-ethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethylcyclohexyl)acetamide
PubChem CID58186241
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-chloro-N-(1-ethylcyclohexyl)acetamide
SMILESCCC1(NC(=O)CCl)CCCCC1
InChIInChI=1S/C10H18ClNO/c1-2-10(12-9(13)8-11)6-4-3-5-7-10/h2-8H2,1H3,(H,12,13)
InChIKeyZVJPCYVGQZKQCQ-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.45
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-(1-ethylcyclopentyl)-2,2-dimethylpropanamide
CID 58542277
3-amino-N-(1-ethylcyclobutyl)-3-methylbutanamide
CID 115739871
1-ethyl-N-(1-ethylcyclopentyl)cyclopentan-1-amine
CID 22930909
2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide
CID 82133784
N-chloro-1-ethylcycloheptan-1-amine
CID 142970343
1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide
CID 113488783
1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide
CID 130608806
N-(1-ethylcyclopropyl)acetamide
CID 67691252
N-[1-(chloromethyl)cyclohexyl]-2-ethylbutanamide
CID 114303398
1-cyclobutyl-3-(1-ethylcyclobutyl)urea
CID 115673198
N-(1-ethylcyclobutyl)-2,2,2-trifluoroacetamide
CID 115673150
ethyl N-[1-(3-chloro-2-oxopropyl)cyclohexyl]carbamate
CID 104701425

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethylcyclohexyl)acetamide?
The IUPAC name of 2-chloro-N-(1-ethylcyclohexyl)acetamide (CID 58186241) is 2-chloro-N-(1-ethylcyclohexyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-ethylcyclohexyl)acetamide?
The canonical SMILES for 2-chloro-N-(1-ethylcyclohexyl)acetamide is CCC1(NC(=O)CCl)CCCCC1.
What is the InChIKey of 2-chloro-N-(1-ethylcyclohexyl)acetamide?
The InChIKey is ZVJPCYVGQZKQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-2-10(12-9(13)8-11)6-4-3-5-7-10/h2-8H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-(1-ethylcyclohexyl)acetamide?
2-chloro-N-(1-ethylcyclohexyl)acetamide has a molecular weight of 203.71 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethylcyclohexyl)acetamide is sourced from PubChem (CID 58186241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).