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

C12H11FN2O2 — CID 2242095

IUPAC1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)Nc1ccccc1F
InChIInChI=1S/C12H11FN2O2/c13-10-5-1-2-6-11(10)15-12(16)14-8-9-4-3-7-17-9/h1-7H,8H2,(H2,14,15,16)
InChIKeyOHSAHFGWDMVFIZ-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.74
Rot. Bonds3

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

1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea (PubChem CID 2242095) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea
PubChem CID2242095
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)Nc1ccccc1F
InChIInChI=1S/C12H11FN2O2/c13-10-5-1-2-6-11(10)15-12(16)14-8-9-4-3-7-17-9/h1-7H,8H2,(H2,14,15,16)
InChIKeyOHSAHFGWDMVFIZ-UHFFFAOYSA-N
XLogP2.74
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea (CID 2242095) is 1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea is O=C(NCc1ccco1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea?
The InChIKey is OHSAHFGWDMVFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-10-5-1-2-6-11(10)15-12(16)14-8-9-4-3-7-17-9/h1-7H,8H2,(H2,14,15,16).
What are the key properties of 1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea?
1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea has a molecular weight of 234.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 2242095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).