1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea

C12H10F2N2O2 — CID 47038823

IUPAC1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea
SMILESO=C(NCc1ccoc1)Nc1c(F)cccc1F
InChIInChI=1S/C12H10F2N2O2/c13-9-2-1-3-10(14)11(9)16-12(17)15-6-8-4-5-18-7-8/h1-5,7H,6H2,(H2,15,16,17)
InChIKeyFAVRERILEQWDNR-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.88
Rot. Bonds3

About 1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea

1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea (PubChem CID 47038823) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea
PubChem CID47038823
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea
SMILESO=C(NCc1ccoc1)Nc1c(F)cccc1F
InChIInChI=1S/C12H10F2N2O2/c13-9-2-1-3-10(14)11(9)16-12(17)15-6-8-4-5-18-7-8/h1-5,7H,6H2,(H2,15,16,17)
InChIKeyFAVRERILEQWDNR-UHFFFAOYSA-N
XLogP2.88
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(2,6-difluorophenyl)urea
CID 108899456
2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide
CID 47039415
2-[2-(furan-3-ylmethylcarbamoylamino)phenyl]acetamide
CID 47039420
1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea
CID 90558541
1-(furan-3-ylmethyl)-3-quinolin-8-ylurea
CID 47219536
1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032147
1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154857494
1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165562
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
CID 49479533
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249
2-(4-fluorophenyl)-N-(furan-3-ylmethyl)acetamide
CID 47285310

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea (CID 47038823) is 1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea is O=C(NCc1ccoc1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea?
The InChIKey is FAVRERILEQWDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c13-9-2-1-3-10(14)11(9)16-12(17)15-6-8-4-5-18-7-8/h1-5,7H,6H2,(H2,15,16,17).
What are the key properties of 1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea?
1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea has a molecular weight of 252.22 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea is sourced from PubChem (CID 47038823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).