2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide

C16H15ClFNO — CID 828501

IUPAC2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO/c17-14-5-1-13(2-6-14)11-16(20)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H,19,20)
InChIKeyRKHFCUTWBWEGTJ-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 828501) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID828501
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO/c17-14-5-1-13(2-6-14)11-16(20)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H,19,20)
InChIKeyRKHFCUTWBWEGTJ-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 828501) is 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is RKHFCUTWBWEGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-14-5-1-13(2-6-14)11-16(20)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 291.75 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 828501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).