1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea

C16H15F3N2O — CID 108887668

IUPAC1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea
SMILESCCN(C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15F3N2O/c1-2-21(12-8-4-3-5-9-12)15(22)20-14-11-7-6-10-13(14)16(17,18)19/h3-11H,2H2,1H3,(H,20,22)
InChIKeyVLLAWEFLQLKOCF-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.76
Rot. Bonds3

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

1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 108887668) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID108887668
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea
SMILESCCN(C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15F3N2O/c1-2-21(12-8-4-3-5-9-12)15(22)20-14-11-7-6-10-13(14)16(17,18)19/h3-11H,2H2,1H3,(H,20,22)
InChIKeyVLLAWEFLQLKOCF-UHFFFAOYSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
CID 108991523
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide
CID 108518687
5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109198553
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3296001
1-(4-aminobutan-2-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 63225617
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea (CID 108887668) is 1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea is CCN(C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is VLLAWEFLQLKOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-2-21(12-8-4-3-5-9-12)15(22)20-14-11-7-6-10-13(14)16(17,18)19/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of 1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea?
1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 308.30 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108887668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).