N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane

C14H20F2N2OS — CID 143468390

IUPACN-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane
SMILESCC(C)F.CCC(=O)NC(=S)NCc1ccccc1F
InChIInChI=1S/C11H13FN2OS.C3H7F/c1-2-10(15)14-11(16)13-7-8-5-3-4-6-9(8)12;1-3(2)4/h3-6H,2,7H2,1H3,(H2,13,14,15,16);3H,1-2H3
InChIKeyHJAKCKIXOAOSDD-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.09
Rot. Bonds3

About N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane

N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane (PubChem CID 143468390) has the molecular formula C14H20F2N2OS and a molecular weight of 302.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane
PubChem CID143468390
Molecular FormulaC14H20F2N2OS
Molecular Weight302.39 g/mol
Exact Mass302.13
IUPAC NameN-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane
SMILESCC(C)F.CCC(=O)NC(=S)NCc1ccccc1F
InChIInChI=1S/C11H13FN2OS.C3H7F/c1-2-10(15)14-11(16)13-7-8-5-3-4-6-9(8)12;1-3(2)4/h3-6H,2,7H2,1H3,(H2,13,14,15,16);3H,1-2H3
InChIKeyHJAKCKIXOAOSDD-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane?
The IUPAC name of N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane (CID 143468390) is N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane.
What is the SMILES notation for N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane?
The canonical SMILES for N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane is CC(C)F.CCC(=O)NC(=S)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane?
The InChIKey is HJAKCKIXOAOSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS.C3H7F/c1-2-10(15)14-11(16)13-7-8-5-3-4-6-9(8)12;1-3(2)4/h3-6H,2,7H2,1H3,(H2,13,14,15,16);3H,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane?
N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane has a molecular weight of 302.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylcarbamothioyl]propanamide;2-fluoropropane is sourced from PubChem (CID 143468390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).