2,2,2-trichloro-N-(5-hydroxypentyl)acetamide

C7H12Cl3NO2 — CID 110839292

IUPAC2,2,2-trichloro-N-(5-hydroxypentyl)acetamide
SMILESO=C(NCCCCCO)C(Cl)(Cl)Cl
InChIInChI=1S/C7H12Cl3NO2/c8-7(9,10)6(13)11-4-2-1-3-5-12/h12H,1-5H2,(H,11,13)
InChIKeyYWXAGGCMWRWLKQ-UHFFFAOYSA-N
MW248.54 g/mol
LogP1.64
Rot. Bonds5

About 2,2,2-trichloro-N-(5-hydroxypentyl)acetamide

2,2,2-trichloro-N-(5-hydroxypentyl)acetamide (PubChem CID 110839292) has the molecular formula C7H12Cl3NO2 and a molecular weight of 248.54 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(5-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(5-hydroxypentyl)acetamide
PubChem CID110839292
Molecular FormulaC7H12Cl3NO2
Molecular Weight248.54 g/mol
Exact Mass246.99
IUPAC Name2,2,2-trichloro-N-(5-hydroxypentyl)acetamide
SMILESO=C(NCCCCCO)C(Cl)(Cl)Cl
InChIInChI=1S/C7H12Cl3NO2/c8-7(9,10)6(13)11-4-2-1-3-5-12/h12H,1-5H2,(H,11,13)
InChIKeyYWXAGGCMWRWLKQ-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.54
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-N-dodecylacetamide
CID 4986291
N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
CID 106842052
2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
CID 648321
12-hydroxydodecylurea
CID 57265418
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280
2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide
CID 107168274
2,2,2-trichloro-N-[3-[4-[3-[(2,2,2-trichloroacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 5084928
2,2,2-trichloro-N-[2-[2-[(2,2,2-trichloroacetyl)amino]ethylsulfanyl]ethyl]acetamide
CID 23579838
2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide
CID 87995485
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide
CID 3532120
N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 103919391
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(5-hydroxypentyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(5-hydroxypentyl)acetamide (CID 110839292) is 2,2,2-trichloro-N-(5-hydroxypentyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(5-hydroxypentyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(5-hydroxypentyl)acetamide is O=C(NCCCCCO)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(5-hydroxypentyl)acetamide?
The InChIKey is YWXAGGCMWRWLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl3NO2/c8-7(9,10)6(13)11-4-2-1-3-5-12/h12H,1-5H2,(H,11,13).
What are the key properties of 2,2,2-trichloro-N-(5-hydroxypentyl)acetamide?
2,2,2-trichloro-N-(5-hydroxypentyl)acetamide has a molecular weight of 248.54 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(5-hydroxypentyl)acetamide is sourced from PubChem (CID 110839292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).