N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide

C15H13FN2O2S — CID 80722310

IUPACN-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide
SMILESNC(=S)c1cc(NC(=O)Cc2ccccc2O)ccc1F
InChIInChI=1S/C15H13FN2O2S/c16-12-6-5-10(8-11(12)15(17)21)18-14(20)7-9-3-1-2-4-13(9)19/h1-6,8,19H,7H2,(H2,17,21)(H,18,20)
InChIKeyQOUZURIFCRLODR-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.35
Rot. Bonds4

About N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide

N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide (PubChem CID 80722310) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide
PubChem CID80722310
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide
SMILESNC(=S)c1cc(NC(=O)Cc2ccccc2O)ccc1F
InChIInChI=1S/C15H13FN2O2S/c16-12-6-5-10(8-11(12)15(17)21)18-14(20)7-9-3-1-2-4-13(9)19/h1-6,8,19H,7H2,(H2,17,21)(H,18,20)
InChIKeyQOUZURIFCRLODR-UHFFFAOYSA-N
XLogP2.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamothioyl-4-fluorophenyl)pentanamide
CID 62316646
N-(3-carbamothioyl-4-fluorophenyl)-2-methylbutanamide
CID 55057586
2-bromo-N-(3-carbamothioyl-4-fluorophenyl)benzamide
CID 62318065
N-(3-carbamothioyl-4-fluorophenyl)-3,4,4-trimethylpentanamide
CID 63832914
N-(3-carbamothioyl-4-fluorophenyl)-3-propoxypropanamide
CID 62716666
N-(3-carbamothioyl-4-fluorophenyl)-2-(thian-4-yl)acetamide
CID 83136542
N-(3-aminophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80744377
N-(3-hydroxy-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740885
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
3-(3-carbamothioyl-4-fluorophenyl)-1-ethyl-1-methylurea
CID 79160236
2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide
CID 51102571
N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide
CID 62317895

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide (CID 80722310) is N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide is NC(=S)c1cc(NC(=O)Cc2ccccc2O)ccc1F.
What is the InChIKey of N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide?
The InChIKey is QOUZURIFCRLODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c16-12-6-5-10(8-11(12)15(17)21)18-14(20)7-9-3-1-2-4-13(9)19/h1-6,8,19H,7H2,(H2,17,21)(H,18,20).
What are the key properties of N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide?
N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioyl-4-fluorophenyl)-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 80722310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).