3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea

C18H16FN3O2 — CID 121084805

IUPAC3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
SMILESO=C(Nc1ccc(F)cc1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C18H16FN3O2/c19-14-6-8-15(9-7-14)21-18(23)22(13-17-5-3-11-24-17)12-16-4-1-2-10-20-16/h1-11H,12-13H2,(H,21,23)
InChIKeyVKJAFPXOJSROBE-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.05
Rot. Bonds5

About 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea

3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea (PubChem CID 121084805) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
PubChem CID121084805
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
SMILESO=C(Nc1ccc(F)cc1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C18H16FN3O2/c19-14-6-8-15(9-7-14)21-18(23)22(13-17-5-3-11-24-17)12-16-4-1-2-10-20-16/h1-11H,12-13H2,(H,21,23)
InChIKeyVKJAFPXOJSROBE-UHFFFAOYSA-N
XLogP4.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084809
3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea
CID 4118039
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
2-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 56724069
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
2-[acetyl(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113161076
2-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 121084664
2-ethoxy-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084654
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea
CID 17387836
1-(furan-2-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 52906824
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea (CID 121084805) is 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea is O=C(Nc1ccc(F)cc1)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea?
The InChIKey is VKJAFPXOJSROBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-6-8-15(9-7-14)21-18(23)22(13-17-5-3-11-24-17)12-16-4-1-2-10-20-16/h1-11H,12-13H2,(H,21,23).
What are the key properties of 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea?
3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea has a molecular weight of 325.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 121084805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).