1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea

C18H18FN3O2 — CID 16819672

IUPAC1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESO=C(NCc1ccc(F)cc1)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H18FN3O2/c19-14-8-6-13(7-9-14)11-20-18(24)21-15-10-17(23)22(12-15)16-4-2-1-3-5-16/h1-9,15H,10-12H2,(H2,20,21,24)
InChIKeyYZVOOFKOBWNNBE-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.43
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea

1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea (PubChem CID 16819672) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
PubChem CID16819672
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESO=C(NCc1ccc(F)cc1)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H18FN3O2/c19-14-8-6-13(7-9-14)11-20-18(24)21-15-10-17(23)22(12-15)16-4-2-1-3-5-16/h1-9,15H,10-12H2,(H2,20,21,24)
InChIKeyYZVOOFKOBWNNBE-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea (CID 16819672) is 1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea is O=C(NCc1ccc(F)cc1)NC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The InChIKey is YZVOOFKOBWNNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-8-6-13(7-9-14)11-20-18(24)21-15-10-17(23)22(12-15)16-4-2-1-3-5-16/h1-9,15H,10-12H2,(H2,20,21,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea has a molecular weight of 327.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 16819672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).