1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea

C17H17F3N2O2 — CID 112971807

IUPAC1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
SMILESCCc1ccccc1OCCNC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H17F3N2O2/c1-2-11-5-3-4-6-14(11)24-10-9-21-17(23)22-13-8-7-12(18)15(19)16(13)20/h3-8H,2,9-10H2,1H3,(H2,21,22,23)
InChIKeyWHGHWVJCDBJXII-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.87
Rot. Bonds6

About 1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea

1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea (PubChem CID 112971807) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
PubChem CID112971807
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
SMILESCCc1ccccc1OCCNC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H17F3N2O2/c1-2-11-5-3-4-6-14(11)24-10-9-21-17(23)22-13-8-7-12(18)15(19)16(13)20/h3-8H,2,9-10H2,1H3,(H2,21,22,23)
InChIKeyWHGHWVJCDBJXII-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112975591
1-[2-(4-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112972178
1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108877405
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735
1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 112971732
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112976455
1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971684
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734
1-[2-(2-hydroxyethoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 108892530
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea (CID 112971807) is 1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea is CCc1ccccc1OCCNC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is WHGHWVJCDBJXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-2-11-5-3-4-6-14(11)24-10-9-21-17(23)22-13-8-7-12(18)15(19)16(13)20/h3-8H,2,9-10H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea?
1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 338.33 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 112971807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).