1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea

C15H13F5N2O3 — CID 71889559

IUPAC1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea
SMILESO=C(NCC(O)C(F)(F)F)N(Cc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C15H13F5N2O3/c16-9-3-4-12(11(17)6-9)22(8-10-2-1-5-25-10)14(24)21-7-13(23)15(18,19)20/h1-6,13,23H,7-8H2,(H,21,24)
InChIKeyJOCZCURFASEOAX-UHFFFAOYSA-N
MW364.27 g/mol
LogP3.20
Rot. Bonds5

About 1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea

1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea (PubChem CID 71889559) has the molecular formula C15H13F5N2O3 and a molecular weight of 364.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea
PubChem CID71889559
Molecular FormulaC15H13F5N2O3
Molecular Weight364.27 g/mol
Exact Mass364.08
IUPAC Name1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea
SMILESO=C(NCC(O)C(F)(F)F)N(Cc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C15H13F5N2O3/c16-9-3-4-12(11(17)6-9)22(8-10-2-1-5-25-10)14(24)21-7-13(23)15(18,19)20/h1-6,13,23H,7-8H2,(H,21,24)
InChIKeyJOCZCURFASEOAX-UHFFFAOYSA-N
XLogP3.20
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide
CID 55889992
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55890384
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-phenoxypropanamide
CID 55889101
N-(2,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 55889353
N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 55890509
5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 75416181
1-(furan-2-ylmethyl)-1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine
CID 119132284
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 55888843
1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 2738628
(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655
5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55888592
2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248488

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea (CID 71889559) is 1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea is O=C(NCC(O)C(F)(F)F)N(Cc1ccco1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea?
The InChIKey is JOCZCURFASEOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5N2O3/c16-9-3-4-12(11(17)6-9)22(8-10-2-1-5-25-10)14(24)21-7-13(23)15(18,19)20/h1-6,13,23H,7-8H2,(H,21,24).
What are the key properties of 1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea?
1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea has a molecular weight of 364.27 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-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea is sourced from PubChem (CID 71889559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).