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

C20H18FN3OS — CID 8942575

IUPAC1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=S)NCc1ccc(F)cc1
InChIInChI=1S/C20H18FN3OS/c21-18-9-6-14(7-10-18)13-22-20(26)24-23-19(25)12-15-5-8-16-3-1-2-4-17(16)11-15/h1-11H,12-13H2,(H,23,25)(H2,22,24,26)
InChIKeyOSSUPLNQXPITTC-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.22
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea (PubChem CID 8942575) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
PubChem CID8942575
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=S)NCc1ccc(F)cc1
InChIInChI=1S/C20H18FN3OS/c21-18-9-6-14(7-10-18)13-22-20(26)24-23-19(25)12-15-5-8-16-3-1-2-4-17(16)11-15/h1-11H,12-13H2,(H,23,25)(H2,22,24,26)
InChIKeyOSSUPLNQXPITTC-UHFFFAOYSA-N
XLogP3.22
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828492
1-benzyl-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiourea
CID 7977674
1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
CID 9469008
1-benzyl-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiourea
CID 18271886
1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
CID 9469486
1-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-[(4-methylphenyl)methyl]thiourea
CID 17373657
1-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea
CID 8942477
N-[(2-fluorophenyl)methyl]-2-naphthalen-2-ylacetamide
CID 8870478
N-[(benzylcarbamothioylamino)carbamothioyl]-4-fluorobenzamide
CID 142756981
1-[(4-fluorophenyl)methyl]-3-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]thiourea
CID 8942283
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 8942076
1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea
CID 8942130

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea (CID 8942575) is 1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea is O=C(Cc1ccc2ccccc2c1)NNC(=S)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea?
The InChIKey is OSSUPLNQXPITTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c21-18-9-6-14(7-10-18)13-22-20(26)24-23-19(25)12-15-5-8-16-3-1-2-4-17(16)11-15/h1-11H,12-13H2,(H,23,25)(H2,22,24,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea?
1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea has a molecular weight of 367.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea is sourced from PubChem (CID 8942575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).