2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide

C14H19Cl3N2O — CID 2831368

IUPAC2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide
SMILESCCN(CC)C(NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H19Cl3N2O/c1-3-19(4-2)13(14(15,16)17)18-12(20)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,18,20)
InChIKeyOYAHPORANZJTRS-UHFFFAOYSA-N
MW337.68 g/mol
LogP3.38
Rot. Bonds6

About 2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide

2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide (PubChem CID 2831368) has the molecular formula C14H19Cl3N2O and a molecular weight of 337.68 g/mol. Its IUPAC name is 2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide
PubChem CID2831368
Molecular FormulaC14H19Cl3N2O
Molecular Weight337.68 g/mol
Exact Mass336.06
IUPAC Name2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide
SMILESCCN(CC)C(NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H19Cl3N2O/c1-3-19(4-2)13(14(15,16)17)18-12(20)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,18,20)
InChIKeyOYAHPORANZJTRS-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide (CID 2831368) is 2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide is CCN(CC)C(NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide?
The InChIKey is OYAHPORANZJTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl3N2O/c1-3-19(4-2)13(14(15,16)17)18-12(20)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,18,20).
What are the key properties of 2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide?
2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide has a molecular weight of 337.68 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2,2,2-trichloro-1-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 2831368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).