1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea

C20H16F3N3O2 — CID 58659455

IUPAC1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Oc3ccnc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-13-2-4-14(5-3-13)25-19(27)26-15-6-8-16(9-7-15)28-17-10-11-24-18(12-17)20(21,22)23/h2-12H,1H3,(H2,25,26,27)
InChIKeyZVJSRPLOPRUQOA-UHFFFAOYSA-N
MW387.36 g/mol
LogP5.85
Rot. Bonds4

About 1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea

1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea (PubChem CID 58659455) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
PubChem CID58659455
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Oc3ccnc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-13-2-4-14(5-3-13)25-19(27)26-15-6-8-16(9-7-15)28-17-10-11-24-18(12-17)20(21,22)23/h2-12H,1H3,(H2,25,26,27)
InChIKeyZVJSRPLOPRUQOA-UHFFFAOYSA-N
XLogP5.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.36
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea with MolForge

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Related Compounds

1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea
CID 58659449
1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone
CID 175454937
N-methyl-4-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 23634270
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
4-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide
CID 10311596
N-methyl-4-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143505922
4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]benzaldehyde
CID 156704518
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11531206
4-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743676
1-[4-amino-3-(trifluoromethyl)phenyl]-3-[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]urea
CID 58263513
1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea
CID 143782858
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea (CID 58659455) is 1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea is Cc1ccc(NC(=O)Nc2ccc(Oc3ccnc(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea?
The InChIKey is ZVJSRPLOPRUQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-13-2-4-14(5-3-13)25-19(27)26-15-6-8-16(9-7-15)28-17-10-11-24-18(12-17)20(21,22)23/h2-12H,1H3,(H2,25,26,27).
What are the key properties of 1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea?
1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea has a molecular weight of 387.36 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea is sourced from PubChem (CID 58659455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).