1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea

C18H14F2N4O2 — CID 72547141

IUPAC1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1nccnc1OCc1cccc(F)c1
InChIInChI=1S/C18H14F2N4O2/c19-13-4-1-3-12(9-13)11-26-17-16(21-7-8-22-17)24-18(25)23-15-6-2-5-14(20)10-15/h1-10H,11H2,(H2,21,23,24,25)
InChIKeyCZPDYZXWKZDPOQ-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.98
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea

1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea (PubChem CID 72547141) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea
PubChem CID72547141
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1nccnc1OCc1cccc(F)c1
InChIInChI=1S/C18H14F2N4O2/c19-13-4-1-3-12(9-13)11-26-17-16(21-7-8-22-17)24-18(25)23-15-6-2-5-14(20)10-15/h1-10H,11H2,(H2,21,23,24,25)
InChIKeyCZPDYZXWKZDPOQ-UHFFFAOYSA-N
XLogP3.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea (CID 72547141) is 1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea is O=C(Nc1cccc(F)c1)Nc1nccnc1OCc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea?
The InChIKey is CZPDYZXWKZDPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c19-13-4-1-3-12(9-13)11-26-17-16(21-7-8-22-17)24-18(25)23-15-6-2-5-14(20)10-15/h1-10H,11H2,(H2,21,23,24,25).
What are the key properties of 1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea?
1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea has a molecular weight of 356.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)methoxy]pyrazin-2-yl]urea is sourced from PubChem (CID 72547141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).