3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea

C16H19FN2O4 — CID 111926637

IUPAC3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
SMILESO=C(Nc1cc(-c2ccco2)ccc1F)N(CCO)CCCO
InChIInChI=1S/C16H19FN2O4/c17-13-5-4-12(15-3-1-10-23-15)11-14(13)18-16(22)19(7-9-21)6-2-8-20/h1,3-5,10-11,20-21H,2,6-9H2,(H,18,22)
InChIKeyKTQNFIZQVHWOHG-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.29
Rot. Bonds7

About 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea

3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea (PubChem CID 111926637) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
PubChem CID111926637
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Name3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
SMILESO=C(Nc1cc(-c2ccco2)ccc1F)N(CCO)CCCO
InChIInChI=1S/C16H19FN2O4/c17-13-5-4-12(15-3-1-10-23-15)11-14(13)18-16(22)19(7-9-21)6-2-8-20/h1,3-5,10-11,20-21H,2,6-9H2,(H,18,22)
InChIKeyKTQNFIZQVHWOHG-UHFFFAOYSA-N
XLogP2.29
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea?
The IUPAC name of 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea (CID 111926637) is 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea?
The canonical SMILES for 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea is O=C(Nc1cc(-c2ccco2)ccc1F)N(CCO)CCCO.
What is the InChIKey of 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea?
The InChIKey is KTQNFIZQVHWOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4/c17-13-5-4-12(15-3-1-10-23-15)11-14(13)18-16(22)19(7-9-21)6-2-8-20/h1,3-5,10-11,20-21H,2,6-9H2,(H,18,22).
What are the key properties of 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea?
3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea has a molecular weight of 322.34 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(furan-2-yl)phenyl]-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 111926637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).