N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide

C10H8F4N2O3 — CID 2544310

IUPACN-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESCNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H8F4N2O3/c1-15-10(18)16-6(17)3-19-9-7(13)4(11)2-5(12)8(9)14/h2H,3H2,1H3,(H2,15,16,17,18)
InChIKeyKIYYTNZTMXTARW-UHFFFAOYSA-N
MW280.18 g/mol
LogP1.08
Rot. Bonds3

About N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide

N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide (PubChem CID 2544310) has the molecular formula C10H8F4N2O3 and a molecular weight of 280.18 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
PubChem CID2544310
Molecular FormulaC10H8F4N2O3
Molecular Weight280.18 g/mol
Exact Mass280.05
IUPAC NameN-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESCNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H8F4N2O3/c1-15-10(18)16-6(17)3-19-9-7(13)4(11)2-5(12)8(9)14/h2H,3H2,1H3,(H2,15,16,17,18)
InChIKeyKIYYTNZTMXTARW-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide (CID 2544310) is N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide is CNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The InChIKey is KIYYTNZTMXTARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O3/c1-15-10(18)16-6(17)3-19-9-7(13)4(11)2-5(12)8(9)14/h2H,3H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide has a molecular weight of 280.18 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide is sourced from PubChem (CID 2544310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).