2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide

C16H16ClNO2 — CID 26676940

IUPAC2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCOc1ccccc1
InChIInChI=1S/C16H16ClNO2/c17-14-8-6-13(7-9-14)12-16(19)18-10-11-20-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,18,19)
InChIKeyLKKHVWRFHLGGEH-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.08
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide

2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide (PubChem CID 26676940) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide
PubChem CID26676940
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCOc1ccccc1
InChIInChI=1S/C16H16ClNO2/c17-14-8-6-13(7-9-14)12-16(19)18-10-11-20-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,18,19)
InChIKeyLKKHVWRFHLGGEH-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide (CID 26676940) is 2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCCOc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide?
The InChIKey is LKKHVWRFHLGGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-8-6-13(7-9-14)12-16(19)18-10-11-20-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide?
2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide has a molecular weight of 289.76 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 26676940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).