1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea

C18H16F3N3O2 — CID 155412410

IUPAC1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea
SMILESO=C(NCCOc1ccccc1C(F)(F)F)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)14-3-1-2-4-16(14)26-10-9-23-17(25)24-13-6-5-12-7-8-22-15(12)11-13/h1-8,11,22H,9-10H2,(H2,23,24,25)
InChIKeyCETOOMNBUJYFPO-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.39
Rot. Bonds5

About 1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea

1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea (PubChem CID 155412410) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea.

Molecular Properties

Compound Name1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea
PubChem CID155412410
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea
SMILESO=C(NCCOc1ccccc1C(F)(F)F)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)14-3-1-2-4-16(14)26-10-9-23-17(25)24-13-6-5-12-7-8-22-15(12)11-13/h1-8,11,22H,9-10H2,(H2,23,24,25)
InChIKeyCETOOMNBUJYFPO-UHFFFAOYSA-N
XLogP4.39
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea
CID 155411868
1-(1H-indol-6-yl)-3-pentylurea
CID 155412349
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460
1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112970275
1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 61031635
3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide
CID 166229477
1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea
CID 17181458
N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 84579799
2-(4-fluorophenoxy)-N-(1H-indol-6-yl)acetamide
CID 110730844
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-amino-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide
CID 119320389

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea?
The IUPAC name of 1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea (CID 155412410) is 1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea.
What is the SMILES notation for 1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea?
The canonical SMILES for 1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea is O=C(NCCOc1ccccc1C(F)(F)F)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea?
The InChIKey is CETOOMNBUJYFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)14-3-1-2-4-16(14)26-10-9-23-17(25)24-13-6-5-12-7-8-22-15(12)11-13/h1-8,11,22H,9-10H2,(H2,23,24,25).
What are the key properties of 1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea?
1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea has a molecular weight of 363.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea is sourced from PubChem (CID 155412410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).