1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C16H17F3N2O4 — CID 86847008

IUPAC1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCCOc1ccc(NC(=O)NCC(O)c2ccco2)c(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O4/c1-2-24-10-5-6-12(11(8-10)16(17,18)19)21-15(23)20-9-13(22)14-4-3-7-25-14/h3-8,13,22H,2,9H2,1H3,(H2,20,21,23)
InChIKeyDMTVNEKHINJQMF-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.55
Rot. Bonds6

About 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 86847008) has the molecular formula C16H17F3N2O4 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID86847008
Molecular FormulaC16H17F3N2O4
Molecular Weight358.32 g/mol
Exact Mass358.11
IUPAC Name1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCCOc1ccc(NC(=O)NCC(O)c2ccco2)c(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O4/c1-2-24-10-5-6-12(11(8-10)16(17,18)19)21-15(23)20-9-13(22)14-4-3-7-25-14/h3-8,13,22H,2,9H2,1H3,(H2,20,21,23)
InChIKeyDMTVNEKHINJQMF-UHFFFAOYSA-N
XLogP3.55
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 87006078
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea
CID 60588996
1-(4-fluoro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78877901
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78875043
1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea
CID 47420595
1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 51082774
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 60588964
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111475157
1-(2-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890476
1-[2,2-bis(furan-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 131702607
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 110891153
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60588883

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 86847008) is 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is CCOc1ccc(NC(=O)NCC(O)c2ccco2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is DMTVNEKHINJQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4/c1-2-24-10-5-6-12(11(8-10)16(17,18)19)21-15(23)20-9-13(22)14-4-3-7-25-14/h3-8,13,22H,2,9H2,1H3,(H2,20,21,23).
What are the key properties of 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 358.32 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 86847008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).