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

C9H8ClF5N2O — CID 12546888

IUPAC2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F.Cl
InChIInChI=1S/C9H7F5N2O.ClH/c1-2(15)9(17)16-8-6(13)4(11)3(10)5(12)7(8)14;/h2H,15H2,1H3,(H,16,17);1H
InChIKeyIWMRDJCGEWVTKP-UHFFFAOYSA-N
MW290.62 g/mol
LogP2.09
Rot. Bonds2

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

2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride (PubChem CID 12546888) has the molecular formula C9H8ClF5N2O and a molecular weight of 290.62 g/mol. Its IUPAC name is 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride
PubChem CID12546888
Molecular FormulaC9H8ClF5N2O
Molecular Weight290.62 g/mol
Exact Mass290.02
IUPAC Name2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F.Cl
InChIInChI=1S/C9H7F5N2O.ClH/c1-2(15)9(17)16-8-6(13)4(11)3(10)5(12)7(8)14;/h2H,15H2,1H3,(H,16,17);1H
InChIKeyIWMRDJCGEWVTKP-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.62
LogP ≤ 52.09
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride (CID 12546888) is 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride is CC(N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F.Cl.
What is the InChIKey of 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride?
The InChIKey is IWMRDJCGEWVTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O.ClH/c1-2(15)9(17)16-8-6(13)4(11)3(10)5(12)7(8)14;/h2H,15H2,1H3,(H,16,17);1H.
What are the key properties of 2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride?
2-amino-N-(2,3,4,5,6-pentafluorophenyl)propanamide;hydrochloride has a molecular weight of 290.62 g/mol, XLogP of 2.09, 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;hydrochloride is sourced from PubChem (CID 12546888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).