2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide

C9H7F5N2O — CID 12546887

IUPAC2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCC(N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H7F5N2O/c1-2(15)9(17)16-8-6(13)4(11)3(10)5(12)7(8)14/h2H,15H2,1H3,(H,16,17)
InChIKeyGNDYJMTVMSTISY-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.67
Rot. Bonds2

About 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide

2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide (PubChem CID 12546887) has the molecular formula C9H7F5N2O and a molecular weight of 254.16 g/mol. Its IUPAC name is 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
PubChem CID12546887
Molecular FormulaC9H7F5N2O
Molecular Weight254.16 g/mol
Exact Mass254.05
IUPAC Name2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCC(N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H7F5N2O/c1-2(15)9(17)16-8-6(13)4(11)3(10)5(12)7(8)14/h2H,15H2,1H3,(H,16,17)
InChIKeyGNDYJMTVMSTISY-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-amino-N-(2,3,4,5,6-pentafluorophenyl)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 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The IUPAC name of 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide (CID 12546887) is 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The canonical SMILES for 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide is CC(N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The InChIKey is GNDYJMTVMSTISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O/c1-2(15)9(17)16-8-6(13)4(11)3(10)5(12)7(8)14/h2H,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide has a molecular weight of 254.16 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide is sourced from PubChem (CID 12546887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).