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

C14H11F3N2O — CID 11623295

IUPAC[4-[4-(trifluoromethyl)phenyl]phenyl]urea
SMILESNC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)19-13(18)20/h1-8H,(H3,18,19,20)
InChIKeySUCPPONDZMGXRQ-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.86
Rot. Bonds2

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

[4-[4-(trifluoromethyl)phenyl]phenyl]urea (PubChem CID 11623295) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)phenyl]phenyl]urea.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)phenyl]phenyl]urea
PubChem CID11623295
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name[4-[4-(trifluoromethyl)phenyl]phenyl]urea
SMILESNC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)19-13(18)20/h1-8H,(H3,18,19,20)
InChIKeySUCPPONDZMGXRQ-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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Related Compounds

[2-deuterio-4-(trifluoromethyl)phenyl]urea
CID 175995266
[2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11716321
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
[4-[3-(trifluoromethyl)anilino]phenyl]urea
CID 90643997
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977
3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 151068564
3-(4-carbamoylphenyl)-5-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 139392279
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N'-[4-(trifluoromethyl)phenyl]nonanediamide
CID 91365401
4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 57381311

Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)phenyl]phenyl]urea?
The IUPAC name of [4-[4-(trifluoromethyl)phenyl]phenyl]urea (CID 11623295) is [4-[4-(trifluoromethyl)phenyl]phenyl]urea.
What is the SMILES notation for [4-[4-(trifluoromethyl)phenyl]phenyl]urea?
The canonical SMILES for [4-[4-(trifluoromethyl)phenyl]phenyl]urea is NC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[4-(trifluoromethyl)phenyl]phenyl]urea?
The InChIKey is SUCPPONDZMGXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)19-13(18)20/h1-8H,(H3,18,19,20).
What are the key properties of [4-[4-(trifluoromethyl)phenyl]phenyl]urea?
[4-[4-(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-[4-(trifluoromethyl)phenyl]phenyl]urea is sourced from PubChem (CID 11623295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).