1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea

C20H16F3N3O2 — CID 20596510

IUPAC1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
SMILESCc1ccc(-c2nc(N(C(N)=O)c3c(F)cccc3F)ccc2CO)c(F)c1
InChIInChI=1S/C20H16F3N3O2/c1-11-5-7-13(16(23)9-11)18-12(10-27)6-8-17(25-18)26(20(24)28)19-14(21)3-2-4-15(19)22/h2-9,27H,10H2,1H3,(H2,24,28)
InChIKeyBHODYINGVOUNQE-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.18
Rot. Bonds4

About 1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea

1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea (PubChem CID 20596510) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
PubChem CID20596510
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
SMILESCc1ccc(-c2nc(N(C(N)=O)c3c(F)cccc3F)ccc2CO)c(F)c1
InChIInChI=1S/C20H16F3N3O2/c1-11-5-7-13(16(23)9-11)18-12(10-27)6-8-17(25-18)26(20(24)28)19-14(21)3-2-4-15(19)22/h2-9,27H,10H2,1H3,(H2,24,28)
InChIKeyBHODYINGVOUNQE-UHFFFAOYSA-N
XLogP4.18
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.18
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-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea (CID 20596510) is 1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea is Cc1ccc(-c2nc(N(C(N)=O)c3c(F)cccc3F)ccc2CO)c(F)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea?
The InChIKey is BHODYINGVOUNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-11-5-7-13(16(23)9-11)18-12(10-27)6-8-17(25-18)26(20(24)28)19-14(21)3-2-4-15(19)22/h2-9,27H,10H2,1H3,(H2,24,28).
What are the key properties of 1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea?
1-(2,6-difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea has a molecular weight of 387.36 g/mol, XLogP of 4.18, 4 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-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea is sourced from PubChem (CID 20596510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).