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

C18H18F4N2O2 — CID 60588883

IUPAC1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCc2ccc(F)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C18H18F4N2O2/c1-2-26-14-7-8-16(15(11-14)18(20,21)22)24-17(25)23-10-9-12-3-5-13(19)6-4-12/h3-8,11H,2,9-10H2,1H3,(H2,23,24,25)
InChIKeyNXYTYIPKLNZWNE-UHFFFAOYSA-N
MW370.35 g/mol
LogP4.61
Rot. Bonds6

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

1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 60588883) has the molecular formula C18H18F4N2O2 and a molecular weight of 370.35 g/mol. Its IUPAC name is 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID60588883
Molecular FormulaC18H18F4N2O2
Molecular Weight370.35 g/mol
Exact Mass370.13
IUPAC Name1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCc2ccc(F)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C18H18F4N2O2/c1-2-26-14-7-8-16(15(11-14)18(20,21)22)24-17(25)23-10-9-12-3-5-13(19)6-4-12/h3-8,11H,2,9-10H2,1H3,(H2,23,24,25)
InChIKeyNXYTYIPKLNZWNE-UHFFFAOYSA-N
XLogP4.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea
CID 60588996
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea
CID 47420595
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 60589064
N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 86812675
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
2-[4-[2-[(2,4-difluorophenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
CID 10619640
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86847008
1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 47223994
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 17087741
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 60588964

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea (CID 60588883) is 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea is CCOc1ccc(NC(=O)NCCc2ccc(F)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is NXYTYIPKLNZWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O2/c1-2-26-14-7-8-16(15(11-14)18(20,21)22)24-17(25)23-10-9-12-3-5-13(19)6-4-12/h3-8,11H,2,9-10H2,1H3,(H2,23,24,25).
What are the key properties of 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 370.35 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 60588883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).