N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide

C15H13FN2O2S — CID 63673578

IUPACN-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(F)cc1C(N)=S
InChIInChI=1S/C15H13FN2O2S/c1-9(19)18-12-4-2-3-5-14(12)20-13-7-6-10(16)8-11(13)15(17)21/h2-8H,1H3,(H2,17,21)(H,18,19)
InChIKeyXCKPZEZCBWQXFB-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.21
Rot. Bonds4

About N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide

N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide (PubChem CID 63673578) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide
PubChem CID63673578
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(F)cc1C(N)=S
InChIInChI=1S/C15H13FN2O2S/c1-9(19)18-12-4-2-3-5-14(12)20-13-7-6-10(16)8-11(13)15(17)21/h2-8H,1H3,(H2,17,21)(H,18,19)
InChIKeyXCKPZEZCBWQXFB-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide
CID 107929518
N-[2-(2,6-difluorophenoxy)phenyl]acetamide
CID 142846289
N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide
CID 78938578
2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide
CID 63674918
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 63675108
N-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]acetamide
CID 9017920
4-(2-acetamidophenoxy)-3-methylbenzoic acid
CID 62120796
5-fluoro-2-propoxybenzenecarbothioamide
CID 63673082
2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide
CID 42561609
N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide
CID 62913100
5-fluoro-2-(3-methylsulfonylphenoxy)benzenecarbothioamide
CID 63675113

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide?
The IUPAC name of N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide (CID 63673578) is N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide?
The canonical SMILES for N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide is CC(=O)Nc1ccccc1Oc1ccc(F)cc1C(N)=S.
What is the InChIKey of N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide?
The InChIKey is XCKPZEZCBWQXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-9(19)18-12-4-2-3-5-14(12)20-13-7-6-10(16)8-11(13)15(17)21/h2-8H,1H3,(H2,17,21)(H,18,19).
What are the key properties of N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide?
N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide has a molecular weight of 304.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide is sourced from PubChem (CID 63673578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).