1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea

C19H14F3N3O2 — CID 15942672

IUPAC1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)13-2-1-3-15(12-13)25-18(26)24-14-4-6-16(7-5-14)27-17-8-10-23-11-9-17/h1-12H,(H2,24,25,26)
InChIKeyDDDLGNOZDKDSEG-UHFFFAOYSA-N
MW373.33 g/mol
LogP5.54
Rot. Bonds4

About 1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 15942672) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID15942672
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)13-2-1-3-15(12-13)25-18(26)24-14-4-6-16(7-5-14)27-17-8-10-23-11-9-17/h1-12H,(H2,24,25,26)
InChIKeyDDDLGNOZDKDSEG-UHFFFAOYSA-N
XLogP5.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.33
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 15942672) is 1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is DDDLGNOZDKDSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)13-2-1-3-15(12-13)25-18(26)24-14-4-6-16(7-5-14)27-17-8-10-23-11-9-17/h1-12H,(H2,24,25,26).
What are the key properties of 1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 373.33 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 15942672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).