1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea

C18H18FN3O3 — CID 17298177

IUPAC1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H18FN3O3/c19-14-3-7-16(8-4-14)21-18(24)20-15-5-1-13(2-6-15)17(23)22-9-11-25-12-10-22/h1-8H,9-12H2,(H2,20,21,24)
InChIKeyZHOMYJJZLWPIBO-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea

1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 17298177) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
PubChem CID17298177
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H18FN3O3/c19-14-3-7-16(8-4-14)21-18(24)20-15-5-1-13(2-6-15)17(23)22-9-11-25-12-10-22/h1-8H,9-12H2,(H2,20,21,24)
InChIKeyZHOMYJJZLWPIBO-UHFFFAOYSA-N
XLogP2.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea (CID 17298177) is 1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea is O=C(Nc1ccc(F)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is ZHOMYJJZLWPIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-14-3-7-16(8-4-14)21-18(24)20-15-5-1-13(2-6-15)17(23)22-9-11-25-12-10-22/h1-8H,9-12H2,(H2,20,21,24).
What are the key properties of 1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 343.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 17298177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).