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

C19H14F3N3O3 — CID 11531206

IUPAC1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O3/c20-19(21,22)16-11-13(3-6-17(16)26)25-18(27)24-12-1-4-14(5-2-12)28-15-7-9-23-10-8-15/h1-11,26H,(H2,24,25,27)
InChIKeyKWYWZVCWJGKHAZ-UHFFFAOYSA-N
MW389.33 g/mol
LogP5.24
Rot. Bonds4

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

1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea (PubChem CID 11531206) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
PubChem CID11531206
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC Name1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O3/c20-19(21,22)16-11-13(3-6-17(16)26)25-18(27)24-12-1-4-14(5-2-12)28-15-7-9-23-10-8-15/h1-11,26H,(H2,24,25,27)
InChIKeyKWYWZVCWJGKHAZ-UHFFFAOYSA-N
XLogP5.24
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.33
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 19433217
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11476057
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 25231150
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-oxopyridine-2-carboxamide
CID 151804255
N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 11315983
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yloxy-1,3,4-thiadiazol-2-yl)urea
CID 69448140
1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 58659391
4-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide
CID 10311596
1-[4-amino-3-(trifluoromethyl)phenyl]-3-[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]urea
CID 58263513
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
1-[4-[(2-butan-2-yl-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 167119734

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea (CID 11531206) is 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea is O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea?
The InChIKey is KWYWZVCWJGKHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c20-19(21,22)16-11-13(3-6-17(16)26)25-18(27)24-12-1-4-14(5-2-12)28-15-7-9-23-10-8-15/h1-11,26H,(H2,24,25,27).
What are the key properties of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea?
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea has a molecular weight of 389.33 g/mol, XLogP of 5.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 11531206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).