1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea

C14H14FN3O — CID 894512

IUPAC1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea
SMILESO=C(NCCc1ccncc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O/c15-12-1-3-13(4-2-12)18-14(19)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H2,17,18,19)
InChIKeyZAHFGZOLTOEUSN-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.58
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea

1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea (PubChem CID 894512) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea
PubChem CID894512
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea
SMILESO=C(NCCc1ccncc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O/c15-12-1-3-13(4-2-12)18-14(19)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H2,17,18,19)
InChIKeyZAHFGZOLTOEUSN-UHFFFAOYSA-N
XLogP2.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.58
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-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea (CID 894512) is 1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea is O=C(NCCc1ccncc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea?
The InChIKey is ZAHFGZOLTOEUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-12-1-3-13(4-2-12)18-14(19)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H2,17,18,19).
What are the key properties of 1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea?
1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea has a molecular weight of 259.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 894512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).