1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea

C18H19F2N3O — CID 51125788

IUPAC1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)Nc1ccccc1F
InChIInChI=1S/C18H19F2N3O/c19-14-5-7-15(8-6-14)23-10-9-13(12-23)11-21-18(24)22-17-4-2-1-3-16(17)20/h1-8,13H,9-12H2,(H2,21,22,24)
InChIKeyKJNRJAUNJNDSHO-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.61
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea

1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea (PubChem CID 51125788) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
PubChem CID51125788
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)Nc1ccccc1F
InChIInChI=1S/C18H19F2N3O/c19-14-5-7-15(8-6-14)23-10-9-13(12-23)11-21-18(24)22-17-4-2-1-3-16(17)20/h1-8,13H,9-12H2,(H2,21,22,24)
InChIKeyKJNRJAUNJNDSHO-UHFFFAOYSA-N
XLogP3.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea (CID 51125788) is 1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea is O=C(NCC1CCN(c2ccc(F)cc2)C1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is KJNRJAUNJNDSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c19-14-5-7-15(8-6-14)23-10-9-13(12-23)11-21-18(24)22-17-4-2-1-3-16(17)20/h1-8,13H,9-12H2,(H2,21,22,24).
What are the key properties of 1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea has a molecular weight of 331.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 51125788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).