1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea

C21H19F2N3O2 — CID 21061443

IUPAC1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea
SMILESCc1ccccc1-c1nc(N(C(N)=O)c2c(F)cccc2F)ccc1CCO
InChIInChI=1S/C21H19F2N3O2/c1-13-5-2-3-6-15(13)19-14(11-12-27)9-10-18(25-19)26(21(24)28)20-16(22)7-4-8-17(20)23/h2-10,27H,11-12H2,1H3,(H2,24,28)
InChIKeyOCCWNMCIJHDIJO-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.09
Rot. Bonds5

About 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea

1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea (PubChem CID 21061443) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea
PubChem CID21061443
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea
SMILESCc1ccccc1-c1nc(N(C(N)=O)c2c(F)cccc2F)ccc1CCO
InChIInChI=1S/C21H19F2N3O2/c1-13-5-2-3-6-15(13)19-14(11-12-27)9-10-18(25-19)26(21(24)28)20-16(22)7-4-8-17(20)23/h2-10,27H,11-12H2,1H3,(H2,24,28)
InChIKeyOCCWNMCIJHDIJO-UHFFFAOYSA-N
XLogP4.09
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea (CID 21061443) is 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea is Cc1ccccc1-c1nc(N(C(N)=O)c2c(F)cccc2F)ccc1CCO.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea?
The InChIKey is OCCWNMCIJHDIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-13-5-2-3-6-15(13)19-14(11-12-27)9-10-18(25-19)26(21(24)28)20-16(22)7-4-8-17(20)23/h2-10,27H,11-12H2,1H3,(H2,24,28).
What are the key properties of 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea?
1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea has a molecular weight of 383.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-(2-methylphenyl)-2-pyridinyl]urea is sourced from PubChem (CID 21061443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).