N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide

C12H16FN3O3S — CID 43619956

IUPACN-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
SMILESNc1cc(F)ccc1NC(=O)CCN1CCCS1(=O)=O
InChIInChI=1S/C12H16FN3O3S/c13-9-2-3-11(10(14)8-9)15-12(17)4-6-16-5-1-7-20(16,18)19/h2-3,8H,1,4-7,14H2,(H,15,17)
InChIKeyBDEVFFTWYRMBAG-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.77
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide

N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide (PubChem CID 43619956) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
PubChem CID43619956
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC NameN-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
SMILESNc1cc(F)ccc1NC(=O)CCN1CCCS1(=O)=O
InChIInChI=1S/C12H16FN3O3S/c13-9-2-3-11(10(14)8-9)15-12(17)4-6-16-5-1-7-20(16,18)19/h2-3,8H,1,4-7,14H2,(H,15,17)
InChIKeyBDEVFFTWYRMBAG-UHFFFAOYSA-N
XLogP0.77
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide (CID 43619956) is N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide is Nc1cc(F)ccc1NC(=O)CCN1CCCS1(=O)=O.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide?
The InChIKey is BDEVFFTWYRMBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c13-9-2-3-11(10(14)8-9)15-12(17)4-6-16-5-1-7-20(16,18)19/h2-3,8H,1,4-7,14H2,(H,15,17).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide?
N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide has a molecular weight of 301.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide is sourced from PubChem (CID 43619956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).