1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea

C23H22F3N3O2 — CID 11510223

IUPAC1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H22F3N3O2/c1-22(2,3)15-9-11-17(12-10-15)28-21(30)29-19-8-5-13-27-20(19)31-18-7-4-6-16(14-18)23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
InChIKeyJJWZHCRWCMWVGL-UHFFFAOYSA-N
MW429.44 g/mol
LogP6.83
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea

1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea (PubChem CID 11510223) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
PubChem CID11510223
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H22F3N3O2/c1-22(2,3)15-9-11-17(12-10-15)28-21(30)29-19-8-5-13-27-20(19)31-18-7-4-6-16(14-18)23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
InChIKeyJJWZHCRWCMWVGL-UHFFFAOYSA-N
XLogP6.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea with MolForge

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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
4-[3-(4-Trifluoromethyl-phenoxy)-benzyl]-piperazine-1-carboxylic acid pyridin-3-ylamide
CID 52914987
N-pyridin-3-yl-4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperidine-1-carboxamide
CID 145977816
N1-[2-(2-fluorophenoxy)-3-pyridyl]-3-phenylacrylamide
CID 5712983
1-[6-[3-(Trifluoromethyl)phenoxy]-3-pyridinyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 2800861
2,6-di[3-amino-N-methyl carboxamide-(imino)methylphenoxy]-3-pyridinamine
CID 10574097
1-[2-(2-Propan-2-ylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 11510273
1-(2,4-Difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea
CID 11531074
1-(4-Tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea
CID 11560464
1-(2,4-Difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 11575089
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-(4-tert-butylphenyl)urea
CID 11611428

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea (CID 11510223) is 1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea is CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
The InChIKey is JJWZHCRWCMWVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c1-22(2,3)15-9-11-17(12-10-15)28-21(30)29-19-8-5-13-27-20(19)31-18-7-4-6-16(14-18)23(24,25)26/h4-14H,1-3H3,(H2,28,29,30).
What are the key properties of 1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea has a molecular weight of 429.44 g/mol, XLogP of 6.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea is sourced from PubChem (CID 11510223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).