1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea

C15H16FN3O2 — CID 112970190

IUPAC1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCCOc1ccccc1F)NCc1ccncc1
InChIInChI=1S/C15H16FN3O2/c16-13-3-1-2-4-14(13)21-10-9-18-15(20)19-11-12-5-7-17-8-6-12/h1-8H,9-11H2,(H2,18,19,20)
InChIKeyLHXWNDRTSSTZMR-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.10
Rot. Bonds6

About 1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea

1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 112970190) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID112970190
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCCOc1ccccc1F)NCc1ccncc1
InChIInChI=1S/C15H16FN3O2/c16-13-3-1-2-4-14(13)21-10-9-18-15(20)19-11-12-5-7-17-8-6-12/h1-8H,9-11H2,(H2,18,19,20)
InChIKeyLHXWNDRTSSTZMR-UHFFFAOYSA-N
XLogP2.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.10
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

1-[3-(2-chlorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 108883450
1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60605473
1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101867
1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea
CID 112970219
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9425271
1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 60569628
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
1-[2-(3-tert-butylphenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 112972702
1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
CID 108883382
N-[2-(2-fluorophenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 3107151

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea (CID 112970190) is 1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea is O=C(NCCOc1ccccc1F)NCc1ccncc1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is LHXWNDRTSSTZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-13-3-1-2-4-14(13)21-10-9-18-15(20)19-11-12-5-7-17-8-6-12/h1-8H,9-11H2,(H2,18,19,20).
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea?
1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 289.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 112970190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).