1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea

C20H16F3N3O3 — CID 68530266

IUPAC1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
SMILESCOc1ccc(NC(=O)Nc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H16F3N3O3/c1-28-15-9-7-14(8-10-15)25-19(27)26-17-6-3-11-24-18(17)29-16-5-2-4-13(12-16)20(21,22)23/h2-12H,1H3,(H2,25,26,27)
InChIKeyZRWUIFOCXAHZKA-UHFFFAOYSA-N
MW403.36 g/mol
LogP5.55
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea

1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea (PubChem CID 68530266) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
PubChem CID68530266
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
SMILESCOc1ccc(NC(=O)Nc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H16F3N3O3/c1-28-15-9-7-14(8-10-15)25-19(27)26-17-6-3-11-24-18(17)29-16-5-2-4-13(12-16)20(21,22)23/h2-12H,1H3,(H2,25,26,27)
InChIKeyZRWUIFOCXAHZKA-UHFFFAOYSA-N
XLogP5.55
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.36
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-3-Pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-1-piperidinecarboxamide
CID 25154867
1-(2-(2-Tert-butylphenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 11510579
1-(4-(Pyridin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15942672
1-(3-Benzyloxy-2-pyridyl)-3-phenyl-urea
CID 3663276
Pyridoimidazolone, 5e
CID 42626193
Urea, N-[4-[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-N'-[2-methoxy-5-(trifluoromethyl)phenyl]-
CID 42626197
N-[6-(2-Methyl-3-pyridinyloxy)-3-pyridinyl]-5-methoxy-6-(trifluoromethyl)indoline-1-carboxamide
CID 10837002
4-[3-(4-Trifluoromethyl-phenoxy)-benzyl]-piperazine-1-carboxylic acid pyridin-3-ylamide
CID 52914987
N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
CID 70695162
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[4-[(dimethylamino)methyl]-2-fluorophenyl]urea
CID 68528415
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[2-fluoro-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]phenyl]urea
CID 68529738
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[2-fluoro-4-[2-(hydroxymethyl)phenyl]phenyl]urea
CID 68530013

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea (CID 68530266) is 1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea is COc1ccc(NC(=O)Nc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
The InChIKey is ZRWUIFOCXAHZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-28-15-9-7-14(8-10-15)25-19(27)26-17-6-3-11-24-18(17)29-16-5-2-4-13(12-16)20(21,22)23/h2-12H,1H3,(H2,25,26,27).
What are the key properties of 1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea has a molecular weight of 403.36 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea is sourced from PubChem (CID 68530266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).