2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide

C7H14ClNO2 — CID 130570453

IUPAC2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide
SMILESCC(C)(O)CCNC(=O)CCl
InChIInChI=1S/C7H14ClNO2/c1-7(2,11)3-4-9-6(10)5-8/h11H,3-5H2,1-2H3,(H,9,10)
InChIKeyXMORQFXLZBCXFL-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.50
Rot. Bonds4

About 2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide

2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide (PubChem CID 130570453) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide
PubChem CID130570453
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide
SMILESCC(C)(O)CCNC(=O)CCl
InChIInChI=1S/C7H14ClNO2/c1-7(2,11)3-4-9-6(10)5-8/h11H,3-5H2,1-2H3,(H,9,10)
InChIKeyXMORQFXLZBCXFL-UHFFFAOYSA-N
XLogP0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65105534
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
2-chloro-N-dotriacontylacetamide
CID 163206961
tert-butyl N-[3-[(2-chloroacetyl)amino]propyl]carbamate
CID 15830736
2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65105640
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280
N-(2-bromoethyl)-2-chloroacetamide
CID 71407386
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
N-(3,3-dimethylbutyl)-2-hydroxyacetamide
CID 115140033
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
tert-butyl N,N-bis[2-[(2-chloroacetyl)amino]ethyl]carbamate
CID 118895154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide (CID 130570453) is 2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide is CC(C)(O)CCNC(=O)CCl.
What is the InChIKey of 2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide?
The InChIKey is XMORQFXLZBCXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-7(2,11)3-4-9-6(10)5-8/h11H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide?
2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide has a molecular weight of 179.65 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxy-3-methylbutyl)acetamide is sourced from PubChem (CID 130570453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).