1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea

C19H15F2N3O2 — CID 11717355

IUPAC1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C19H15F2N3O2/c20-14-8-9-16(15(21)11-14)23-19(25)24-18-17(7-4-10-22-18)26-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,23,24,25)
InChIKeyBJGCOTAIBUUGAQ-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.58
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea

1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea (PubChem CID 11717355) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
PubChem CID11717355
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C19H15F2N3O2/c20-14-8-9-16(15(21)11-14)23-19(25)24-18-17(7-4-10-22-18)26-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,23,24,25)
InChIKeyBJGCOTAIBUUGAQ-UHFFFAOYSA-N
XLogP4.58
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.58
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-(3-phenylmethoxy-2-pyridinyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea (CID 11717355) is 1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea is O=C(Nc1ccc(F)cc1F)Nc1ncccc1OCc1ccccc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The InChIKey is BJGCOTAIBUUGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c20-14-8-9-16(15(21)11-14)23-19(25)24-18-17(7-4-10-22-18)26-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,23,24,25).
What are the key properties of 1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
1-(2,4-difluorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea has a molecular weight of 355.34 g/mol, XLogP of 4.58, 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-(3-phenylmethoxy-2-pyridinyl)urea is sourced from PubChem (CID 11717355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).