1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea

C19H12F5N3O2 — CID 11575089

IUPAC1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cccnc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F5N3O2/c20-11-7-8-14(13(21)10-11)26-18(28)27-15-5-3-9-25-17(15)29-16-6-2-1-4-12(16)19(22,23)24/h1-10H,(H2,26,27,28)
InChIKeyQBWNWCDHNXJLSG-UHFFFAOYSA-N
MW409.31 g/mol
LogP5.81
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea

1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea (PubChem CID 11575089) has the molecular formula C19H12F5N3O2 and a molecular weight of 409.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
PubChem CID11575089
Molecular FormulaC19H12F5N3O2
Molecular Weight409.31 g/mol
Exact Mass409.08
IUPAC Name1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cccnc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F5N3O2/c20-11-7-8-14(13(21)10-11)26-18(28)27-15-5-3-9-25-17(15)29-16-6-2-1-4-12(16)19(22,23)24/h1-10H,(H2,26,27,28)
InChIKeyQBWNWCDHNXJLSG-UHFFFAOYSA-N
XLogP5.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.31
LogP ≤ 55.81
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-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea (CID 11575089) is 1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea is O=C(Nc1ccc(F)cc1F)Nc1cccnc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
The InChIKey is QBWNWCDHNXJLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3O2/c20-11-7-8-14(13(21)10-11)26-18(28)27-15-5-3-9-25-17(15)29-16-6-2-1-4-12(16)19(22,23)24/h1-10H,(H2,26,27,28).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea?
1-(2,4-difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea has a molecular weight of 409.31 g/mol, XLogP of 5.81, 4 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-(trifluoromethyl)phenoxy]-3-pyridinyl]urea is sourced from PubChem (CID 11575089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).