N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide

C10H11ClFNO — CID 2804920

IUPACN-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide
SMILESCC(=O)NCCc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO/c1-7(14)13-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyWWXZFVXLWBPAHE-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.16
Rot. Bonds3

About N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide

N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide (PubChem CID 2804920) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide
PubChem CID2804920
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide
SMILESCC(=O)NCCc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO/c1-7(14)13-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyWWXZFVXLWBPAHE-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide (CID 2804920) is N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide is CC(=O)NCCc1c(F)cccc1Cl.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide?
The InChIKey is WWXZFVXLWBPAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-7(14)13-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide?
N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide has a molecular weight of 215.66 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 2804920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).