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

C14H16F4N2O3 — CID 2544321

IUPACN-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESCC(C)CCNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H16F4N2O3/c1-7(2)3-4-19-14(22)20-10(21)6-23-13-11(17)8(15)5-9(16)12(13)18/h5,7H,3-4,6H2,1-2H3,(H2,19,20,21,22)
InChIKeyUGILNJCZSXJIFQ-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.49
Rot. Bonds6

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

N-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide (PubChem CID 2544321) has the molecular formula C14H16F4N2O3 and a molecular weight of 336.29 g/mol. Its IUPAC name is N-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
PubChem CID2544321
Molecular FormulaC14H16F4N2O3
Molecular Weight336.29 g/mol
Exact Mass336.11
IUPAC NameN-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESCC(C)CCNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H16F4N2O3/c1-7(2)3-4-19-14(22)20-10(21)6-23-13-11(17)8(15)5-9(16)12(13)18/h5,7H,3-4,6H2,1-2H3,(H2,19,20,21,22)
InChIKeyUGILNJCZSXJIFQ-UHFFFAOYSA-N
XLogP2.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.49
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-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The IUPAC name of N-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide (CID 2544321) is N-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide.
What is the SMILES notation for N-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The canonical SMILES for N-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide is CC(C)CCNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The InChIKey is UGILNJCZSXJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O3/c1-7(2)3-4-19-14(22)20-10(21)6-23-13-11(17)8(15)5-9(16)12(13)18/h5,7H,3-4,6H2,1-2H3,(H2,19,20,21,22).
What are the key properties of N-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
N-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide has a molecular weight of 336.29 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide is sourced from PubChem (CID 2544321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).