1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea

C17H17F3N2O3 — CID 55696660

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3N2O3/c1-24-14-6-2-12(3-7-14)10-11-21-16(23)22-13-4-8-15(9-5-13)25-17(18,19)20/h2-9H,10-11H2,1H3,(H2,21,22,23)
InChIKeyGSUDLYQVJHANRJ-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.96
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 55696660) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID55696660
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3N2O3/c1-24-14-6-2-12(3-7-14)10-11-21-16(23)22-13-4-8-15(9-5-13)25-17(18,19)20/h2-9H,10-11H2,1H3,(H2,21,22,23)
InChIKeyGSUDLYQVJHANRJ-UHFFFAOYSA-N
XLogP3.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
4-[2-(4-methoxyphenyl)ethylcarbamoylamino]benzenesulfonic acid
CID 108901850
N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide
CID 118005673
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
1-(4-methoxyphenyl)-3-[2-(3,4,5-trihydroxyphenyl)ethyl]urea
CID 163876948
1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 6975841
1-pent-3-ynyl-3-[4-(trifluoromethoxy)phenyl]urea
CID 115976976
1-[(E)-pent-3-enyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 115629281

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 55696660) is 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea is COc1ccc(CCNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is GSUDLYQVJHANRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-24-14-6-2-12(3-7-14)10-11-21-16(23)22-13-4-8-15(9-5-13)25-17(18,19)20/h2-9H,10-11H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 354.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 55696660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).