1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea

C13H12FN3O — CID 895223

IUPAC1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O/c14-11-1-3-12(4-2-11)17-13(18)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H2,16,17,18)
InChIKeyVRACOZNWSSHEAU-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.54
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea

1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea (PubChem CID 895223) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea
PubChem CID895223
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O/c14-11-1-3-12(4-2-11)17-13(18)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H2,16,17,18)
InChIKeyVRACOZNWSSHEAU-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea (CID 895223) is 1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea?
The InChIKey is VRACOZNWSSHEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-11-1-3-12(4-2-11)17-13(18)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H2,16,17,18).
What are the key properties of 1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea?
1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea has a molecular weight of 245.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 895223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).