1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea

C15H15F3N2O4 — CID 97062764

IUPAC1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
SMILESCOC[C@@H](NC(=O)Nc1cc(F)ccc1OC(F)F)c1ccco1
InChIInChI=1S/C15H15F3N2O4/c1-22-8-11(12-3-2-6-23-12)20-15(21)19-10-7-9(16)4-5-13(10)24-14(17)18/h2-7,11,14H,8H2,1H3,(H2,19,20,21)/t11-/m1/s1
InChIKeyGKXHQJXELFWLNG-LLVKDONJSA-N
MW344.29 g/mol
LogP3.53
Rot. Bonds7

About 1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea

1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea (PubChem CID 97062764) has the molecular formula C15H15F3N2O4 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
PubChem CID97062764
Molecular FormulaC15H15F3N2O4
Molecular Weight344.29 g/mol
Exact Mass344.10
IUPAC Name1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
SMILESCOC[C@@H](NC(=O)Nc1cc(F)ccc1OC(F)F)c1ccco1
InChIInChI=1S/C15H15F3N2O4/c1-22-8-11(12-3-2-6-23-12)20-15(21)19-10-7-9(16)4-5-13(10)24-14(17)18/h2-7,11,14H,8H2,1H3,(H2,19,20,21)/t11-/m1/s1
InChIKeyGKXHQJXELFWLNG-LLVKDONJSA-N
XLogP3.53
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 75508670
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea
CID 71865827
1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 71865843
4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline
CID 133336556
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea
CID 97261314
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4-hydroxycyclohexyl)urea
CID 111566418
1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225040
1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 71919099
1-(4-fluoro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78877901
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
CID 47129823
1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 97009408
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 71982872

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea?
The IUPAC name of 1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea (CID 97062764) is 1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea?
The canonical SMILES for 1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea is COC[C@@H](NC(=O)Nc1cc(F)ccc1OC(F)F)c1ccco1.
What is the InChIKey of 1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea?
The InChIKey is GKXHQJXELFWLNG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15F3N2O4/c1-22-8-11(12-3-2-6-23-12)20-15(21)19-10-7-9(16)4-5-13(10)24-14(17)18/h2-7,11,14H,8H2,1H3,(H2,19,20,21)/t11-/m1/s1.
What are the key properties of 1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea?
1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea has a molecular weight of 344.29 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea is sourced from PubChem (CID 97062764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).