1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea

C17H15BrFN3O2 — CID 53166727

IUPAC1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(Br)cc1)NC1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H15BrFN3O2/c18-11-1-5-13(6-2-11)20-17(24)21-15-9-10-22(16(15)23)14-7-3-12(19)4-8-14/h1-8,15H,9-10H2,(H2,20,21,24)
InChIKeyUMGJWMXOISJILN-UHFFFAOYSA-N
MW392.23 g/mol
LogP3.52
Rot. Bonds3

About 1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea

1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea (PubChem CID 53166727) has the molecular formula C17H15BrFN3O2 and a molecular weight of 392.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
PubChem CID53166727
Molecular FormulaC17H15BrFN3O2
Molecular Weight392.23 g/mol
Exact Mass391.03
IUPAC Name1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(Br)cc1)NC1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H15BrFN3O2/c18-11-1-5-13(6-2-11)20-17(24)21-15-9-10-22(16(15)23)14-7-3-12(19)4-8-14/h1-8,15H,9-10H2,(H2,20,21,24)
InChIKeyUMGJWMXOISJILN-UHFFFAOYSA-N
XLogP3.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea (CID 53166727) is 1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea is O=C(Nc1ccc(Br)cc1)NC1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is UMGJWMXOISJILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O2/c18-11-1-5-13(6-2-11)20-17(24)21-15-9-10-22(16(15)23)14-7-3-12(19)4-8-14/h1-8,15H,9-10H2,(H2,20,21,24).
What are the key properties of 1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea?
1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 392.23 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 53166727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).