1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

C18H15F4N3O2 — CID 16819886

IUPAC1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C18H15F4N3O2/c19-12-4-6-15(7-5-12)25-10-14(9-16(25)26)24-17(27)23-13-3-1-2-11(8-13)18(20,21)22/h1-8,14H,9-10H2,(H2,23,24,27)
InChIKeyKDBZUQYBXQERSO-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.77
Rot. Bonds3

About 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 16819886) has the molecular formula C18H15F4N3O2 and a molecular weight of 381.33 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID16819886
Molecular FormulaC18H15F4N3O2
Molecular Weight381.33 g/mol
Exact Mass381.11
IUPAC Name1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C18H15F4N3O2/c19-12-4-6-15(7-5-12)25-10-14(9-16(25)26)24-17(27)23-13-3-1-2-11(8-13)18(20,21)22/h1-8,14H,9-10H2,(H2,23,24,27)
InChIKeyKDBZUQYBXQERSO-UHFFFAOYSA-N
XLogP3.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 16819886) is 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)NC1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is KDBZUQYBXQERSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O2/c19-12-4-6-15(7-5-12)25-10-14(9-16(25)26)24-17(27)23-13-3-1-2-11(8-13)18(20,21)22/h1-8,14H,9-10H2,(H2,23,24,27).
What are the key properties of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 381.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 16819886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).