2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide

C8H16ClNO2 — CID 65105640

IUPAC2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)CCl
InChIInChI=1S/C8H16ClNO2/c1-3-8(12,4-2)6-10-7(11)5-9/h12H,3-6H2,1-2H3,(H,10,11)
InChIKeyMSWOYXDFNHVNMO-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.89
Rot. Bonds5

About 2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide

2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide (PubChem CID 65105640) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide
PubChem CID65105640
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)CCl
InChIInChI=1S/C8H16ClNO2/c1-3-8(12,4-2)6-10-7(11)5-9/h12H,3-6H2,1-2H3,(H,10,11)
InChIKeyMSWOYXDFNHVNMO-UHFFFAOYSA-N
XLogP0.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65105586
2-chloro-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65105534
3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 79039842
4-amino-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 65106740
N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide
CID 114875415
4-amino-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65106683
N-(2-ethyl-2-hydroxybutyl)-2-propylsulfanylacetamide
CID 111463255
2-(1-aminocyclopentyl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106412
N-(2-ethyl-2-hydroxybutyl)-2-(2-methoxyethoxy)acetamide
CID 65113876
1-butyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 62068260
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564
2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 115681303

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide?
The IUPAC name of 2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide (CID 65105640) is 2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide is CCC(O)(CC)CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide?
The InChIKey is MSWOYXDFNHVNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-3-8(12,4-2)6-10-7(11)5-9/h12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide?
2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide has a molecular weight of 193.67 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide is sourced from PubChem (CID 65105640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).