1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

C17H17F3N2O3 — CID 112971460

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOc1ccccc1OCCNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O3/c1-24-14-8-4-5-9-15(14)25-11-10-21-16(23)22-13-7-3-2-6-12(13)17(18,19)20/h2-9H,10-11H2,1H3,(H2,21,22,23)
InChIKeyACNNREGEWPYKFU-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.91
Rot. Bonds6

About 1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 112971460) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID112971460
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOc1ccccc1OCCNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O3/c1-24-14-8-4-5-9-15(14)25-11-10-21-16(23)22-13-7-3-2-6-12(13)17(18,19)20/h2-9H,10-11H2,1H3,(H2,21,22,23)
InChIKeyACNNREGEWPYKFU-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971443
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
3-(2-methoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17034567
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
N-[2-(2-methoxyphenoxy)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46546443
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112972906
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735
1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 83036718
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 112971460) is 1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is COc1ccccc1OCCNC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is ACNNREGEWPYKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-24-14-8-4-5-9-15(14)25-11-10-21-16(23)22-13-7-3-2-6-12(13)17(18,19)20/h2-9H,10-11H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 354.33 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 112971460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).