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

C9H9ClFNO — CID 839127

IUPAC2-(2-chloro-6-fluorophenyl)-N-methylacetamide
SMILESCNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C9H9ClFNO/c1-12-9(13)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyRDLOWABVDFLTNC-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.77
Rot. Bonds2

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

2-(2-chloro-6-fluorophenyl)-N-methylacetamide (PubChem CID 839127) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-methylacetamide
PubChem CID839127
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-methylacetamide
SMILESCNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C9H9ClFNO/c1-12-9(13)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyRDLOWABVDFLTNC-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.77
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-methylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methylacetamide (CID 839127) is 2-(2-chloro-6-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-methylacetamide is CNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-methylacetamide?
The InChIKey is RDLOWABVDFLTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-12-9(13)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-methylacetamide?
2-(2-chloro-6-fluorophenyl)-N-methylacetamide has a molecular weight of 201.63 g/mol, XLogP of 1.77, 2 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-methylacetamide is sourced from PubChem (CID 839127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).