1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea

C15H13F2N3O2S — CID 9468538

IUPAC1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea
SMILESO=C(COc1cccc(F)c1)NNC(=S)Nc1ccccc1F
InChIInChI=1S/C15H13F2N3O2S/c16-10-4-3-5-11(8-10)22-9-14(21)19-20-15(23)18-13-7-2-1-6-12(13)17/h1-8H,9H2,(H,19,21)(H2,18,20,23)
InChIKeyPPIJJZDNMFGXJC-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.36
Rot. Bonds4

About 1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea

1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea (PubChem CID 9468538) has the molecular formula C15H13F2N3O2S and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea
PubChem CID9468538
Molecular FormulaC15H13F2N3O2S
Molecular Weight337.35 g/mol
Exact Mass337.07
IUPAC Name1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea
SMILESO=C(COc1cccc(F)c1)NNC(=S)Nc1ccccc1F
InChIInChI=1S/C15H13F2N3O2S/c16-10-4-3-5-11(8-10)22-9-14(21)19-20-15(23)18-13-7-2-1-6-12(13)17/h1-8H,9H2,(H,19,21)(H2,18,20,23)
InChIKeyPPIJJZDNMFGXJC-UHFFFAOYSA-N
XLogP2.36
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3-fluorophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 2670466
2-fluoro-N'-[2-(3-fluorophenoxy)acetyl]benzohydrazide
CID 2709557
N-(2-fluorophenyl)-2-(3-methylphenoxy)acetamide
CID 723312
1-butyl-3-[[2-(3-fluorophenoxy)acetyl]amino]thiourea
CID 9469236
1-[2-(dimethylamino)ethyl]-3-[[2-(3-fluorophenoxy)acetyl]amino]thiourea
CID 8654435
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
1-(4-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea
CID 968340
1-(4-fluorophenyl)-3-[(2-phenoxyacetyl)amino]thiourea
CID 730484
1-(2,3-dimethylphenyl)-3-[(2-phenoxyacetyl)amino]thiourea
CID 40632106
N-(2-amino-4-fluorophenyl)-2-(3-fluorophenoxy)acetamide
CID 16796146
1-(2-fluorophenyl)-3-[3-(4-methylphenoxy)propanoylamino]thiourea
CID 9468541
1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea
CID 3490888

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea (CID 9468538) is 1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea is O=C(COc1cccc(F)c1)NNC(=S)Nc1ccccc1F.
What is the InChIKey of 1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea?
The InChIKey is PPIJJZDNMFGXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2S/c16-10-4-3-5-11(8-10)22-9-14(21)19-20-15(23)18-13-7-2-1-6-12(13)17/h1-8H,9H2,(H,19,21)(H2,18,20,23).
What are the key properties of 1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea?
1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea has a molecular weight of 337.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 9468538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).