1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea

C14H10F4N2O — CID 727768

IUPAC1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1
InChIInChI=1S/C14H10F4N2O/c15-10-2-1-3-12(8-10)20-13(21)19-11-6-4-9(5-7-11)14(16,17)18/h1-8H,(H2,19,20,21)
InChIKeyOBLXUISPGDVAOZ-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.49
Rot. Bonds2

About 1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 727768) has the molecular formula C14H10F4N2O and a molecular weight of 298.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID727768
Molecular FormulaC14H10F4N2O
Molecular Weight298.24 g/mol
Exact Mass298.07
IUPAC Name1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1
InChIInChI=1S/C14H10F4N2O/c15-10-2-1-3-12(8-10)20-13(21)19-11-6-4-9(5-7-11)14(16,17)18/h1-8H,(H2,19,20,21)
InChIKeyOBLXUISPGDVAOZ-UHFFFAOYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137
1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 87362484
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate
CID 171782912
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 57011310
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270045
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 19433217
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 727768) is 1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is OBLXUISPGDVAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O/c15-10-2-1-3-12(8-10)20-13(21)19-11-6-4-9(5-7-11)14(16,17)18/h1-8H,(H2,19,20,21).
What are the key properties of 1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 298.24 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 727768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).