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

C14H11F3N2O — CID 23626453

IUPAC[4-[3-(trifluoromethyl)phenyl]phenyl]urea
SMILESNC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-2-10(8-11)9-4-6-12(7-5-9)19-13(18)20/h1-8H,(H3,18,19,20)
InChIKeyMHFIGSQWRVHNRG-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.86
Rot. Bonds2

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

[4-[3-(trifluoromethyl)phenyl]phenyl]urea (PubChem CID 23626453) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is [4-[3-(trifluoromethyl)phenyl]phenyl]urea.

Molecular Properties

Compound Name[4-[3-(trifluoromethyl)phenyl]phenyl]urea
PubChem CID23626453
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name[4-[3-(trifluoromethyl)phenyl]phenyl]urea
SMILESNC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-2-10(8-11)9-4-6-12(7-5-9)19-13(18)20/h1-8H,(H3,18,19,20)
InChIKeyMHFIGSQWRVHNRG-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(trifluoromethyl)phenyl]phenyl]urea?
The IUPAC name of [4-[3-(trifluoromethyl)phenyl]phenyl]urea (CID 23626453) is [4-[3-(trifluoromethyl)phenyl]phenyl]urea.
What is the SMILES notation for [4-[3-(trifluoromethyl)phenyl]phenyl]urea?
The canonical SMILES for [4-[3-(trifluoromethyl)phenyl]phenyl]urea is NC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-[3-(trifluoromethyl)phenyl]phenyl]urea?
The InChIKey is MHFIGSQWRVHNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-2-10(8-11)9-4-6-12(7-5-9)19-13(18)20/h1-8H,(H3,18,19,20).
What are the key properties of [4-[3-(trifluoromethyl)phenyl]phenyl]urea?
[4-[3-(trifluoromethyl)phenyl]phenyl]urea has a molecular weight of 280.25 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(trifluoromethyl)phenyl]phenyl]urea is sourced from PubChem (CID 23626453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).