2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide

C16H15ClFNO2 — CID 2548865

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCOc1ccccc1
InChIInChI=1S/C16H15ClFNO2/c17-14-7-4-8-15(18)13(14)11-16(20)19-9-10-21-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeyFBNIVMXPNVFNKH-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.22
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide (PubChem CID 2548865) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide
PubChem CID2548865
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCOc1ccccc1
InChIInChI=1S/C16H15ClFNO2/c17-14-7-4-8-15(18)13(14)11-16(20)19-9-10-21-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeyFBNIVMXPNVFNKH-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.22
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-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide (CID 2548865) is 2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide is O=C(Cc1c(F)cccc1Cl)NCCOc1ccccc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide?
The InChIKey is FBNIVMXPNVFNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-14-7-4-8-15(18)13(14)11-16(20)19-9-10-21-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide has a molecular weight of 307.75 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 2548865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).