N-benzyl-2,2,2-trichloro-N-ethylacetamide

C11H12Cl3NO — CID 879826

IUPACN-benzyl-2,2,2-trichloro-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H12Cl3NO/c1-2-15(10(16)11(12,13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyYIDIZQBWUATQEG-UHFFFAOYSA-N
MW280.58 g/mol
LogP3.41
Rot. Bonds3

About N-benzyl-2,2,2-trichloro-N-ethylacetamide

N-benzyl-2,2,2-trichloro-N-ethylacetamide (PubChem CID 879826) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is N-benzyl-2,2,2-trichloro-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trichloro-N-ethylacetamide
PubChem CID879826
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC NameN-benzyl-2,2,2-trichloro-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H12Cl3NO/c1-2-15(10(16)11(12,13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyYIDIZQBWUATQEG-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 53.41
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 N-benzyl-2,2,2-trichloro-N-ethylacetamide?
The IUPAC name of N-benzyl-2,2,2-trichloro-N-ethylacetamide (CID 879826) is N-benzyl-2,2,2-trichloro-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2,2,2-trichloro-N-ethylacetamide?
The canonical SMILES for N-benzyl-2,2,2-trichloro-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of N-benzyl-2,2,2-trichloro-N-ethylacetamide?
The InChIKey is YIDIZQBWUATQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c1-2-15(10(16)11(12,13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of N-benzyl-2,2,2-trichloro-N-ethylacetamide?
N-benzyl-2,2,2-trichloro-N-ethylacetamide has a molecular weight of 280.58 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trichloro-N-ethylacetamide is sourced from PubChem (CID 879826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).