2,2,2-trichloro-N-naphthalen-1-ylacetamide

C12H8Cl3NO — CID 532053

IUPAC2,2,2-trichloro-N-naphthalen-1-ylacetamide
SMILESO=C(Nc1cccc2ccccc12)C(Cl)(Cl)Cl
InChIInChI=1S/C12H8Cl3NO/c13-12(14,15)11(17)16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,16,17)
InChIKeyFEXNJZJFISBCHC-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.15
Rot. Bonds1

About 2,2,2-trichloro-N-naphthalen-1-ylacetamide

2,2,2-trichloro-N-naphthalen-1-ylacetamide (PubChem CID 532053) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is 2,2,2-trichloro-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-naphthalen-1-ylacetamide
PubChem CID532053
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name2,2,2-trichloro-N-naphthalen-1-ylacetamide
SMILESO=C(Nc1cccc2ccccc12)C(Cl)(Cl)Cl
InChIInChI=1S/C12H8Cl3NO/c13-12(14,15)11(17)16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,16,17)
InChIKeyFEXNJZJFISBCHC-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
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-naphthalen-1-ylacetamide?
The IUPAC name of 2,2,2-trichloro-N-naphthalen-1-ylacetamide (CID 532053) is 2,2,2-trichloro-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2,2,2-trichloro-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2,2,2-trichloro-N-naphthalen-1-ylacetamide is O=C(Nc1cccc2ccccc12)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-naphthalen-1-ylacetamide?
The InChIKey is FEXNJZJFISBCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c13-12(14,15)11(17)16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,16,17).
What are the key properties of 2,2,2-trichloro-N-naphthalen-1-ylacetamide?
2,2,2-trichloro-N-naphthalen-1-ylacetamide has a molecular weight of 288.56 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 532053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).