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

C16H15F3N2O — CID 3346401

IUPAC1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H15F3N2O/c1-2-21(14-9-4-3-5-10-14)15(22)20-13-8-6-7-12(11-13)16(17,18)19/h3-11H,2H2,1H3,(H,20,22)
InChIKeyOOUNZBRRPBZAMJ-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.76
Rot. Bonds3

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

1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 3346401) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID3346401
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H15F3N2O/c1-2-21(14-9-4-3-5-10-14)15(22)20-13-8-6-7-12(11-13)16(17,18)19/h3-11H,2H2,1H3,(H,20,22)
InChIKeyOOUNZBRRPBZAMJ-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-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838383
3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54839033
3-(3-methylphenyl)-1-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 3505137
1-[(2S)-butan-2-yl]-1-[4-[[(2S)-butan-2-yl]-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 98133141
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 42702821
1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea
CID 174764880
1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 42703609
1-benzyl-1-tert-butyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3487348
4-chloro-N-[3-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]benzamide
CID 42701967
1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea
CID 108887668
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea (CID 3346401) is 1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea is CCN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is OOUNZBRRPBZAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-2-21(14-9-4-3-5-10-14)15(22)20-13-8-6-7-12(11-13)16(17,18)19/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of 1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea?
1-ethyl-1-phenyl-3-[3-(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-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 3346401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).