N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

C13H8F11NO2 — CID 561513

IUPACN-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESO=C(NCc1ccccc1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H8F11NO2/c14-9(11(17,18)19,8(26)25-6-7-4-2-1-3-5-7)27-13(23,24)10(15,16)12(20,21)22/h1-5H,6H2,(H,25,26)
InChIKeyMBYGYAYBAZPQOT-UHFFFAOYSA-N
MW419.19 g/mol
LogP4.34
Rot. Bonds6

About N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (PubChem CID 561513) has the molecular formula C13H8F11NO2 and a molecular weight of 419.19 g/mol. Its IUPAC name is N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.

Molecular Properties

Compound NameN-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
PubChem CID561513
Molecular FormulaC13H8F11NO2
Molecular Weight419.19 g/mol
Exact Mass419.04
IUPAC NameN-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESO=C(NCc1ccccc1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H8F11NO2/c14-9(11(17,18)19,8(26)25-6-7-4-2-1-3-5-7)27-13(23,24)10(15,16)12(20,21)22/h1-5H,6H2,(H,25,26)
InChIKeyMBYGYAYBAZPQOT-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.19
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The IUPAC name of N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (CID 561513) is N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.
What is the SMILES notation for N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The canonical SMILES for N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is O=C(NCc1ccccc1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The InChIKey is MBYGYAYBAZPQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F11NO2/c14-9(11(17,18)19,8(26)25-6-7-4-2-1-3-5-7)27-13(23,24)10(15,16)12(20,21)22/h1-5H,6H2,(H,25,26).
What are the key properties of N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide has a molecular weight of 419.19 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is sourced from PubChem (CID 561513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).