1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea

C19H16FN3O2S — CID 3490888

IUPAC1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea
SMILESO=C(COc1ccc2ccccc2c1)NNC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2S/c20-15-6-8-16(9-7-15)21-19(26)23-22-18(24)12-25-17-10-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2,(H,22,24)(H2,21,23,26)
InChIKeyLBGNYXPJAYTXPL-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.38
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea

1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea (PubChem CID 3490888) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea
PubChem CID3490888
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea
SMILESO=C(COc1ccc2ccccc2c1)NNC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2S/c20-15-6-8-16(9-7-15)21-19(26)23-22-18(24)12-25-17-10-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2,(H,22,24)(H2,21,23,26)
InChIKeyLBGNYXPJAYTXPL-UHFFFAOYSA-N
XLogP3.38
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.38
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

1-(4-fluorophenyl)-3-[(2-phenoxyacetyl)amino]thiourea
CID 730484
1-(4-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea
CID 968340
1-(4-fluorophenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 968555
N-(4-fluorophenyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 1300898
N-[4-(acetylcarbamothioylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 5229884
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-[4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]phenyl]acetamide
CID 3073648
(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9368212
N-[4-(carbamoylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 33152788
2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1370829
N-(2,5-difluorophenyl)-2-naphthalen-2-yloxyacetamide
CID 7958914
1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
CID 9469486

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea (CID 3490888) is 1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea is O=C(COc1ccc2ccccc2c1)NNC(=S)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea?
The InChIKey is LBGNYXPJAYTXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c20-15-6-8-16(9-7-15)21-19(26)23-22-18(24)12-25-17-10-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2,(H,22,24)(H2,21,23,26).
What are the key properties of 1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea?
1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea has a molecular weight of 369.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea is sourced from PubChem (CID 3490888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).