N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide

C19H19FN2O2S — CID 2204732

IUPACN-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2S/c20-15-5-7-16(8-6-15)21-18(23)13-24-17-9-3-14(4-10-17)19(25)22-11-1-2-12-22/h3-10H,1-2,11-13H2,(H,21,23)
InChIKeyVJVZLLJTQWGSTL-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.61
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide

N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide (PubChem CID 2204732) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
PubChem CID2204732
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC NameN-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2S/c20-15-5-7-16(8-6-15)21-18(23)13-24-17-9-3-14(4-10-17)19(25)22-11-1-2-12-22/h3-10H,1-2,11-13H2,(H,21,23)
InChIKeyVJVZLLJTQWGSTL-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)-2-[4-(piperidine-1-carbothioyl)phenoxy]acetamide
CID 126227959
N-(3-methylphenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126234591
2-[4-(pyrrolidine-1-carbothioyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126247714
4-[[2-(4-fluorophenoxy)acetyl]amino]benzoate
CID 7372868
4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate
CID 2219088
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-hydroxyphenyl)acetamide
CID 38906195
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 47003985
N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126248488
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164713
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide (CID 2204732) is N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide is O=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide?
The InChIKey is VJVZLLJTQWGSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c20-15-5-7-16(8-6-15)21-18(23)13-24-17-9-3-14(4-10-17)19(25)22-11-1-2-12-22/h3-10H,1-2,11-13H2,(H,21,23).
What are the key properties of N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide?
N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide is sourced from PubChem (CID 2204732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).