1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

C14H15FN2O3 — CID 121086010

IUPAC1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCC(O)(CNC(=O)Nc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C14H15FN2O3/c1-14(19,12-3-2-8-20-12)9-16-13(18)17-11-6-4-10(15)5-7-11/h2-8,19H,9H2,1H3,(H2,16,17,18)
InChIKeyUXUNKXVVBKFXAB-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.45
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (PubChem CID 121086010) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
PubChem CID121086010
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCC(O)(CNC(=O)Nc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C14H15FN2O3/c1-14(19,12-3-2-8-20-12)9-16-13(18)17-11-6-4-10(15)5-7-11/h2-8,19H,9H2,1H3,(H2,16,17,18)
InChIKeyUXUNKXVVBKFXAB-UHFFFAOYSA-N
XLogP2.45
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (CID 121086010) is 1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is CC(O)(CNC(=O)Nc1ccc(F)cc1)c1ccco1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The InChIKey is UXUNKXVVBKFXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-14(19,12-3-2-8-20-12)9-16-13(18)17-11-6-4-10(15)5-7-11/h2-8,19H,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea has a molecular weight of 278.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 121086010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).