2-(2-chloro-6-fluorophenyl)-N-ethylacetamide

C10H11ClFNO — CID 839120

IUPAC2-(2-chloro-6-fluorophenyl)-N-ethylacetamide
SMILESCCNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO/c1-2-13-10(14)6-7-8(11)4-3-5-9(7)12/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyNVGFLJQKFNEXGF-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.16
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-ethylacetamide

2-(2-chloro-6-fluorophenyl)-N-ethylacetamide (PubChem CID 839120) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-ethylacetamide
PubChem CID839120
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-ethylacetamide
SMILESCCNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO/c1-2-13-10(14)6-7-8(11)4-3-5-9(7)12/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyNVGFLJQKFNEXGF-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 2-(2-chloro-6-fluorophenyl)-N-ethylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethylacetamide (CID 839120) is 2-(2-chloro-6-fluorophenyl)-N-ethylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-ethylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-ethylacetamide is CCNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-ethylacetamide?
The InChIKey is NVGFLJQKFNEXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-2-13-10(14)6-7-8(11)4-3-5-9(7)12/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-ethylacetamide?
2-(2-chloro-6-fluorophenyl)-N-ethylacetamide 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 2-(2-chloro-6-fluorophenyl)-N-ethylacetamide is sourced from PubChem (CID 839120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).