1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea

C21H19F2N3O2 — CID 11531074

IUPAC1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea
SMILESCC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C21H19F2N3O2/c1-13(2)15-6-3-4-8-19(15)28-20-18(7-5-11-24-20)26-21(27)25-17-10-9-14(22)12-16(17)23/h3-13H,1-2H3,(H2,25,26,27)
InChIKeyCOTGAORQPUSNAQ-UHFFFAOYSA-N
MW383.40 g/mol
LogP5.92
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea

1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea (PubChem CID 11531074) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea
PubChem CID11531074
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea
SMILESCC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C21H19F2N3O2/c1-13(2)15-6-3-4-8-19(15)28-20-18(7-5-11-24-20)26-21(27)25-17-10-9-14(22)12-16(17)23/h3-13H,1-2H3,(H2,25,26,27)
InChIKeyCOTGAORQPUSNAQ-UHFFFAOYSA-N
XLogP5.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea (CID 11531074) is 1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea is CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea?
The InChIKey is COTGAORQPUSNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-13(2)15-6-3-4-8-19(15)28-20-18(7-5-11-24-20)26-21(27)25-17-10-9-14(22)12-16(17)23/h3-13H,1-2H3,(H2,25,26,27).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea?
1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea has a molecular weight of 383.40 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea is sourced from PubChem (CID 11531074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).