1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

C15H13F3N2O — CID 6467850

IUPAC1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O/c1-10-4-2-3-5-13(10)20-14(21)19-12-8-6-11(7-9-12)15(16,17)18/h2-9H,1H3,(H2,19,20,21)
InChIKeyVLAVAJDCIDKMDX-UHFFFAOYSA-N
MW294.28 g/mol
LogP4.66
Rot. Bonds2

About 1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 6467850) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID6467850
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O/c1-10-4-2-3-5-13(10)20-14(21)19-12-8-6-11(7-9-12)15(16,17)18/h2-9H,1H3,(H2,19,20,21)
InChIKeyVLAVAJDCIDKMDX-UHFFFAOYSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 6467850) is 1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea is Cc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is VLAVAJDCIDKMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-10-4-2-3-5-13(10)20-14(21)19-12-8-6-11(7-9-12)15(16,17)18/h2-9H,1H3,(H2,19,20,21).
What are the key properties of 1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 294.28 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 6467850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).