1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

C15H12F4N2O2 — CID 69011236

IUPAC1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(O)c(F)c1
InChIInChI=1S/C15H12F4N2O2/c16-12-7-11(5-6-13(12)22)21-14(23)20-8-9-1-3-10(4-2-9)15(17,18)19/h1-7,22H,8H2,(H2,20,21,23)
InChIKeyZBNSPDLWUIEGIR-UHFFFAOYSA-N
MW328.27 g/mol
LogP3.87
Rot. Bonds3

About 1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 69011236) has the molecular formula C15H12F4N2O2 and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID69011236
Molecular FormulaC15H12F4N2O2
Molecular Weight328.27 g/mol
Exact Mass328.08
IUPAC Name1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(O)c(F)c1
InChIInChI=1S/C15H12F4N2O2/c16-12-7-11(5-6-13(12)22)21-14(23)20-8-9-1-3-10(4-2-9)15(17,18)19/h1-7,22H,8H2,(H2,20,21,23)
InChIKeyZBNSPDLWUIEGIR-UHFFFAOYSA-N
XLogP3.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64781275
dimethyl 5-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzene-1,3-dicarboxylate
CID 3282636
1-(4-phenylmethoxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3514022
1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 45112292
1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 69008943
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 19433217
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
1-(2,4-dimethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3822404
1-[(4-ethylsulfanylphenyl)methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 166650200
1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110894292
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 55740451

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 69011236) is 1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(O)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is ZBNSPDLWUIEGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O2/c16-12-7-11(5-6-13(12)22)21-14(23)20-8-9-1-3-10(4-2-9)15(17,18)19/h1-7,22H,8H2,(H2,20,21,23).
What are the key properties of 1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 328.27 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 69011236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).