1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea

C14H14FN3O2 — CID 18101867

IUPAC1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
SMILESO=C(NCCOc1ccccc1F)Nc1cccnc1
InChIInChI=1S/C14H14FN3O2/c15-12-5-1-2-6-13(12)20-9-8-17-14(19)18-11-4-3-7-16-10-11/h1-7,10H,8-9H2,(H2,17,18,19)
InChIKeyJXSIRTGGAKKGHU-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.42
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea

1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea (PubChem CID 18101867) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
PubChem CID18101867
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
SMILESO=C(NCCOc1ccccc1F)Nc1cccnc1
InChIInChI=1S/C14H14FN3O2/c15-12-5-1-2-6-13(12)20-9-8-17-14(19)18-11-4-3-7-16-10-11/h1-7,10H,8-9H2,(H2,17,18,19)
InChIKeyJXSIRTGGAKKGHU-UHFFFAOYSA-N
XLogP2.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.42
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-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea
CID 112970293
1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970277
1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112970275
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
CID 112970303
1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 112970190
1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea
CID 56782083
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-pyridin-3-ylurea
CID 108882096
ethane;1-(2-isoquinolin-5-yloxyethyl)-3-phenylurea;molecular hydrogen
CID 143030878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea (CID 18101867) is 1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea is O=C(NCCOc1ccccc1F)Nc1cccnc1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea?
The InChIKey is JXSIRTGGAKKGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-12-5-1-2-6-13(12)20-9-8-17-14(19)18-11-4-3-7-16-10-11/h1-7,10H,8-9H2,(H2,17,18,19).
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea?
1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea has a molecular weight of 275.28 g/mol, XLogP of 2.42, 5 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-3-ylurea is sourced from PubChem (CID 18101867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).