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

C13H13FN2O2 — CID 90558541

IUPAC1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea
SMILESO=C(NCCc1ccoc1)Nc1ccccc1F
InChIInChI=1S/C13H13FN2O2/c14-11-3-1-2-4-12(11)16-13(17)15-7-5-10-6-8-18-9-10/h1-4,6,8-9H,5,7H2,(H2,15,16,17)
InChIKeyZFTKKSNRRAFPQS-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.78
Rot. Bonds4

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

1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea (PubChem CID 90558541) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea
PubChem CID90558541
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea
SMILESO=C(NCCc1ccoc1)Nc1ccccc1F
InChIInChI=1S/C13H13FN2O2/c14-11-3-1-2-4-12(11)16-13(17)15-7-5-10-6-8-18-9-10/h1-4,6,8-9H,5,7H2,(H2,15,16,17)
InChIKeyZFTKKSNRRAFPQS-UHFFFAOYSA-N
XLogP2.78
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide
CID 90558490
1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea
CID 47038823
1-(4-tert-butylphenyl)-3-[2-(furan-3-yl)ethyl]urea
CID 90558553
1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 17409766
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
2-(2-chlorophenyl)-N-[2-(furan-3-yl)ethyl]acetamide
CID 71798453
1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea
CID 62663672
1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea
CID 115629205
1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607924
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea (CID 90558541) is 1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea is O=C(NCCc1ccoc1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea?
The InChIKey is ZFTKKSNRRAFPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-11-3-1-2-4-12(11)16-13(17)15-7-5-10-6-8-18-9-10/h1-4,6,8-9H,5,7H2,(H2,15,16,17).
What are the key properties of 1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea?
1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea has a molecular weight of 248.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea is sourced from PubChem (CID 90558541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).