1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea

C22H22FN3O2 — CID 2814280

IUPAC1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
SMILESCC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C22H22FN3O2/c1-22(2,3)15-4-11-19(12-5-15)28-20-13-10-18(14-24-20)26-21(27)25-17-8-6-16(23)7-9-17/h4-14H,1-3H3,(H2,25,26,27)
InChIKeyXSLFNHRYTYBNGF-UHFFFAOYSA-N
MW379.44 g/mol
LogP5.95
Rot. Bonds4

About 1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea

1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea (PubChem CID 2814280) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
PubChem CID2814280
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
SMILESCC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C22H22FN3O2/c1-22(2,3)15-4-11-19(12-5-15)28-20-13-10-18(14-24-20)26-21(27)25-17-8-6-16(23)7-9-17/h4-14H,1-3H3,(H2,25,26,27)
InChIKeyXSLFNHRYTYBNGF-UHFFFAOYSA-N
XLogP5.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.44
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-thiophen-2-ylurea
CID 2814277
5-tert-butyl-2-(4-fluorophenoxy)pyridine
CID 69192638
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
2-[[6-(4-tert-butylphenoxy)-3-pyridinyl]carbamoyl]benzoic acid
CID 2814281
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849090
1-(4-tert-butylphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303193
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea (CID 2814280) is 1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea is CC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cn2)cc1.
What is the InChIKey of 1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea?
The InChIKey is XSLFNHRYTYBNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-22(2,3)15-4-11-19(12-5-15)28-20-13-10-18(14-24-20)26-21(27)25-17-8-6-16(23)7-9-17/h4-14H,1-3H3,(H2,25,26,27).
What are the key properties of 1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea?
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea has a molecular weight of 379.44 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 2814280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).