1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea

C16H18FN3O2 — CID 60605473

IUPAC1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCCCOc1ccc(F)cc1)NCc1ccncc1
InChIInChI=1S/C16H18FN3O2/c17-14-2-4-15(5-3-14)22-11-1-8-19-16(21)20-12-13-6-9-18-10-7-13/h2-7,9-10H,1,8,11-12H2,(H2,19,20,21)
InChIKeyQXLLBINANMNTMD-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.49
Rot. Bonds7

About 1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea

1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 60605473) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID60605473
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCCCOc1ccc(F)cc1)NCc1ccncc1
InChIInChI=1S/C16H18FN3O2/c17-14-2-4-15(5-3-14)22-11-1-8-19-16(21)20-12-13-6-9-18-10-7-13/h2-7,9-10H,1,8,11-12H2,(H2,19,20,21)
InChIKeyQXLLBINANMNTMD-UHFFFAOYSA-N
XLogP2.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 112970190
1-[3-(2-chlorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 108883450
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(4-fluorophenoxy)propyl]urea
CID 60601729
N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18164688
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
1-[2-(3-tert-butylphenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 112972702
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea
CID 55794559
1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea
CID 108885189
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea
CID 38212673
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 112975116

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea (CID 60605473) is 1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea is O=C(NCCCOc1ccc(F)cc1)NCc1ccncc1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is QXLLBINANMNTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-14-2-4-15(5-3-14)22-11-1-8-19-16(21)20-12-13-6-9-18-10-7-13/h2-7,9-10H,1,8,11-12H2,(H2,19,20,21).
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea?
1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 303.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 60605473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).