N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide

C12H12F4N2O3 — CID 2544256

IUPACN-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESCC(C)NC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H12F4N2O3/c1-5(2)17-12(20)18-8(19)4-21-11-9(15)6(13)3-7(14)10(11)16/h3,5H,4H2,1-2H3,(H2,17,18,19,20)
InChIKeyXPCDEOPOVBLEFC-UHFFFAOYSA-N
MW308.23 g/mol
LogP1.86
Rot. Bonds4

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

N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide (PubChem CID 2544256) has the molecular formula C12H12F4N2O3 and a molecular weight of 308.23 g/mol. Its IUPAC name is N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
PubChem CID2544256
Molecular FormulaC12H12F4N2O3
Molecular Weight308.23 g/mol
Exact Mass308.08
IUPAC NameN-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESCC(C)NC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H12F4N2O3/c1-5(2)17-12(20)18-8(19)4-21-11-9(15)6(13)3-7(14)10(11)16/h3,5H,4H2,1-2H3,(H2,17,18,19,20)
InChIKeyXPCDEOPOVBLEFC-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 51.86
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-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The IUPAC name of N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide (CID 2544256) is N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide.
What is the SMILES notation for N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The canonical SMILES for N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide is CC(C)NC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The InChIKey is XPCDEOPOVBLEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O3/c1-5(2)17-12(20)18-8(19)4-21-11-9(15)6(13)3-7(14)10(11)16/h3,5H,4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide has a molecular weight of 308.23 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide is sourced from PubChem (CID 2544256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).