2,2,2-trichloro-N,N-dipropylacetamide

C8H14Cl3NO — CID 4069521

IUPAC2,2,2-trichloro-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C8H14Cl3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h3-6H2,1-2H3
InChIKeyCNGCKIPJXZLLDA-UHFFFAOYSA-N
MW246.56 g/mol
LogP3.01
Rot. Bonds4

About 2,2,2-trichloro-N,N-dipropylacetamide

2,2,2-trichloro-N,N-dipropylacetamide (PubChem CID 4069521) has the molecular formula C8H14Cl3NO and a molecular weight of 246.56 g/mol. Its IUPAC name is 2,2,2-trichloro-N,N-dipropylacetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N,N-dipropylacetamide
PubChem CID4069521
Molecular FormulaC8H14Cl3NO
Molecular Weight246.56 g/mol
Exact Mass245.01
IUPAC Name2,2,2-trichloro-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C8H14Cl3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h3-6H2,1-2H3
InChIKeyCNGCKIPJXZLLDA-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.56
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N,N-dipropylacetamide?
The IUPAC name of 2,2,2-trichloro-N,N-dipropylacetamide (CID 4069521) is 2,2,2-trichloro-N,N-dipropylacetamide.
What is the SMILES notation for 2,2,2-trichloro-N,N-dipropylacetamide?
The canonical SMILES for 2,2,2-trichloro-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N,N-dipropylacetamide?
The InChIKey is CNGCKIPJXZLLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h3-6H2,1-2H3.
What are the key properties of 2,2,2-trichloro-N,N-dipropylacetamide?
2,2,2-trichloro-N,N-dipropylacetamide has a molecular weight of 246.56 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N,N-dipropylacetamide is sourced from PubChem (CID 4069521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).