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

C13H15F3N2O2 — CID 47420595

IUPAC1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea
SMILESCCOc1ccc(NC(=O)NC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c1-2-20-9-5-6-11(10(7-9)13(14,15)16)18-12(19)17-8-3-4-8/h5-8H,2-4H2,1H3,(H2,17,18,19)
InChIKeyOVWHRUMQVKNLDH-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.39
Rot. Bonds4

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

1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea (PubChem CID 47420595) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea
PubChem CID47420595
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea
SMILESCCOc1ccc(NC(=O)NC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c1-2-20-9-5-6-11(10(7-9)13(14,15)16)18-12(19)17-8-3-4-8/h5-8H,2-4H2,1H3,(H2,17,18,19)
InChIKeyOVWHRUMQVKNLDH-UHFFFAOYSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 60589064
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea
CID 60588996
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60588883
4-[[4-fluoro-2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079192
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86847008
2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 60589161
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-(4-butoxy-2-methylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 60554326
2-ethoxy-N-[4-ethoxy-2-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 119049112
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 60588964
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea (CID 47420595) is 1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea is CCOc1ccc(NC(=O)NC2CC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea?
The InChIKey is OVWHRUMQVKNLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-2-20-9-5-6-11(10(7-9)13(14,15)16)18-12(19)17-8-3-4-8/h5-8H,2-4H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea?
1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea has a molecular weight of 288.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 47420595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).