1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea

C22H20F3N3O3 — CID 11510273

IUPAC1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H20F3N3O3/c1-14(2)17-6-3-4-8-19(17)30-20-18(7-5-13-26-20)28-21(29)27-15-9-11-16(12-10-15)31-22(23,24)25/h3-14H,1-2H3,(H2,27,28,29)
InChIKeyWUEURVOTFFPCAZ-UHFFFAOYSA-N
MW431.41 g/mol
LogP6.54
Rot. Bonds6

About 1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 11510273) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID11510273
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H20F3N3O3/c1-14(2)17-6-3-4-8-19(17)30-20-18(7-5-13-26-20)28-21(29)27-15-9-11-16(12-10-15)31-22(23,24)25/h3-14H,1-2H3,(H2,27,28,29)
InChIKeyWUEURVOTFFPCAZ-UHFFFAOYSA-N
XLogP6.54
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.41
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-3-Pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-1-piperidinecarboxamide
CID 25154867
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-[6-(2-Methyl-3-pyridinyloxy)-3-pyridinyl]-5-methoxy-6-(trifluoromethyl)indoline-1-carboxamide
CID 10837002
4-[3-(4-Trifluoromethyl-phenoxy)-benzyl]-piperazine-1-carboxylic acid pyridin-3-ylamide
CID 52914987
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[4-[(dimethylamino)methyl]-2-fluorophenyl]urea
CID 68528415
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[2-fluoro-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]phenyl]urea
CID 68529738
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[2-fluoro-4-[2-(hydroxymethyl)phenyl]phenyl]urea
CID 68530013
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[4-[3-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]urea
CID 68530403
Methyl 1-[4-[[2-(2-tert-butylphenoxy)-3-pyridinyl]carbamoylamino]phenyl]cyclopropane-1-carboxylate
CID 68531462
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-(2-fluoro-4-morpholin-4-ylphenyl)urea
CID 68531481
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[2-fluoro-4-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]phenyl]urea
CID 68531609

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 11510273) is 1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea is CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is WUEURVOTFFPCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c1-14(2)17-6-3-4-8-19(17)30-20-18(7-5-13-26-20)28-21(29)27-15-9-11-16(12-10-15)31-22(23,24)25/h3-14H,1-2H3,(H2,27,28,29).
What are the key properties of 1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 431.41 g/mol, XLogP of 6.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 11510273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).