N-(3,3,3-trichloropropyl)acetamide

C5H8Cl3NO — CID 57324895

IUPACN-(3,3,3-trichloropropyl)acetamide
SMILESCC(=O)NCCC(Cl)(Cl)Cl
InChIInChI=1S/C5H8Cl3NO/c1-4(10)9-3-2-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyHAQLJCBZERXJFT-UHFFFAOYSA-N
MW204.48 g/mol
LogP1.88
Rot. Bonds2

About N-(3,3,3-trichloropropyl)acetamide

N-(3,3,3-trichloropropyl)acetamide (PubChem CID 57324895) has the molecular formula C5H8Cl3NO and a molecular weight of 204.48 g/mol. Its IUPAC name is N-(3,3,3-trichloropropyl)acetamide.

Molecular Properties

Compound NameN-(3,3,3-trichloropropyl)acetamide
PubChem CID57324895
Molecular FormulaC5H8Cl3NO
Molecular Weight204.48 g/mol
Exact Mass202.97
IUPAC NameN-(3,3,3-trichloropropyl)acetamide
SMILESCC(=O)NCCC(Cl)(Cl)Cl
InChIInChI=1S/C5H8Cl3NO/c1-4(10)9-3-2-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyHAQLJCBZERXJFT-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)acetamide
CID 3361051
3-chloro-N-ethylpropanamide
CID 3519145
N-(3,3-dichloro-3-fluoropropyl)acetamide
CID 129803294
2,2,2-trichloro-N-ethylacetamide
CID 4108671
N-(1,2,2,3-tetrachloropropyl)-acetamide
CID 20355929
N-(3-chloro-1-fluoropropyl)acetamide
CID 172755059
N-Butyl-2,2-dichloroacetamide
CID 219920
2,2,2-trichloro-N-pentylacetamide
CID 1581506
N-butyl-2,2,2-trichloroacetamide
CID 3411427
2,2,2-trichloro-N-(2-methylpropyl)acetamide
CID 3804772
Propanamide, 3-chloro-N-propyl-
CID 4122953
N-butan-2-yl-2,2,2-trichloroacetamide
CID 3661575

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trichloropropyl)acetamide?
The IUPAC name of N-(3,3,3-trichloropropyl)acetamide (CID 57324895) is N-(3,3,3-trichloropropyl)acetamide.
What is the SMILES notation for N-(3,3,3-trichloropropyl)acetamide?
The canonical SMILES for N-(3,3,3-trichloropropyl)acetamide is CC(=O)NCCC(Cl)(Cl)Cl.
What is the InChIKey of N-(3,3,3-trichloropropyl)acetamide?
The InChIKey is HAQLJCBZERXJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl3NO/c1-4(10)9-3-2-5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of N-(3,3,3-trichloropropyl)acetamide?
N-(3,3,3-trichloropropyl)acetamide has a molecular weight of 204.48 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trichloropropyl)acetamide is sourced from PubChem (CID 57324895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).