1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea

C13H12F2N2O3 — CID 47129823

IUPAC1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H12F2N2O3/c14-12(15)20-11-6-2-1-5-10(11)17-13(18)16-8-9-4-3-7-19-9/h1-7,12H,8H2,(H2,16,17,18)
InChIKeyPMGWMAUPBFGCSN-UHFFFAOYSA-N
MW282.25 g/mol
LogP3.20
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea

1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea (PubChem CID 47129823) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
PubChem CID47129823
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC Name1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H12F2N2O3/c14-12(15)20-11-6-2-1-5-10(11)17-13(18)16-8-9-4-3-7-19-9/h1-7,12H,8H2,(H2,16,17,18)
InChIKeyPMGWMAUPBFGCSN-UHFFFAOYSA-N
XLogP3.20
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 9116644
(2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 95239498
N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945134
4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 35335808
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 4995803
1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea
CID 60603582
N-[2-(difluoromethoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 78991445
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 38143722
2-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 110938808
2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 60542397
1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041330
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea (CID 47129823) is 1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea is O=C(NCc1ccco1)Nc1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is PMGWMAUPBFGCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c14-12(15)20-11-6-2-1-5-10(11)17-13(18)16-8-9-4-3-7-19-9/h1-7,12H,8H2,(H2,16,17,18).
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea?
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 282.25 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 47129823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).