2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

C8H16ClNO2 — CID 103881700

IUPAC2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(C)C(CCO)NC(=O)CCl
InChIInChI=1S/C8H16ClNO2/c1-6(2)7(3-4-11)10-8(12)5-9/h6-7,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyMIKSDXWSUJHNIG-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.75
Rot. Bonds5

About 2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (PubChem CID 103881700) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
PubChem CID103881700
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(C)C(CCO)NC(=O)CCl
InChIInChI=1S/C8H16ClNO2/c1-6(2)7(3-4-11)10-8(12)5-9/h6-7,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyMIKSDXWSUJHNIG-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
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

3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 106349277
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide
CID 106357968
N-(1-hydroxy-4-methylpentan-3-yl)-2-(methylamino)acetamide
CID 103810718
2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide
CID 177333418
2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 106348504
N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide
CID 103852371
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
CID 103810722
[(2S)-2-[(2-chloroacetyl)amino]-3-methylbutyl] 2-chloroacetate
CID 44889096
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 103750764
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide
CID 106349751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (CID 103881700) is 2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide is CC(C)C(CCO)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The InChIKey is MIKSDXWSUJHNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-6(2)7(3-4-11)10-8(12)5-9/h6-7,11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide has a molecular weight of 193.67 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide is sourced from PubChem (CID 103881700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).