2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide

C7H14ClNO2 — CID 66089686

IUPAC2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)CCl
InChIInChI=1S/C7H14ClNO2/c1-6(2-3-10)5-9-7(11)4-8/h6,10H,2-5H2,1H3,(H,9,11)
InChIKeyQAOTVKZBNITXNP-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.36
Rot. Bonds5

About 2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide

2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide (PubChem CID 66089686) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
PubChem CID66089686
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)CCl
InChIInChI=1S/C7H14ClNO2/c1-6(2-3-10)5-9-7(11)4-8/h6,10H,2-5H2,1H3,(H,9,11)
InChIKeyQAOTVKZBNITXNP-UHFFFAOYSA-N
XLogP0.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.36
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-(3-hydroxy-2-methylpropyl)acetamide
CID 65034129
2-amino-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089038
N-(4-hydroxy-2-methylbutyl)-3,3-dimethylbutanamide
CID 66106193
N-(4-hydroxy-2-methylbutyl)-3-methylsulfonylpropanamide
CID 66107104
3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 66092248
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
methyl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66107566
2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
5-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 66090702
2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide
CID 107905413
2-cyclopentyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66107291
propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66106917

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide (CID 66089686) is 2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide is CC(CCO)CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide?
The InChIKey is QAOTVKZBNITXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-6(2-3-10)5-9-7(11)4-8/h6,10H,2-5H2,1H3,(H,9,11).
What are the key properties of 2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide?
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide has a molecular weight of 179.65 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 66089686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).