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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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).