1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea

C20H16F3N3O2 — CID 5020377

IUPAC1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)15-8-4-9-16(12-15)25-19(27)26-18-17(10-5-11-24-18)28-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,24,25,26,27)
InChIKeyZGRJWEGBJGKHAP-UHFFFAOYSA-N
MW387.36 g/mol
LogP5.32
Rot. Bonds5

About 1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 5020377) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID5020377
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)15-8-4-9-16(12-15)25-19(27)26-18-17(10-5-11-24-18)28-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,24,25,26,27)
InChIKeyZGRJWEGBJGKHAP-UHFFFAOYSA-N
XLogP5.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.36
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-3-benzyloxypyridine
CID 90334
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
N-((4-((2-aminopyridin-4-yl)oxy)-3-fluorophenyl)carbamoyl)-2-(4-fluorophenyl)acetamide
CID 17748441
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
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
US10155760, Example 23
CID 118419711
US10155760, Example 19
CID 118419969
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 5020377) is 1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncccc1OCc1ccccc1.
What is the InChIKey of 1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is ZGRJWEGBJGKHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)15-8-4-9-16(12-15)25-19(27)26-18-17(10-5-11-24-18)28-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,24,25,26,27).
What are the key properties of 1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 387.36 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 5020377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).