1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea

C15H15F3N2O3 — CID 71782647

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(O)(CNC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C15H15F3N2O3/c1-14(22,12-3-2-8-23-12)9-19-13(21)20-11-6-4-10(5-7-11)15(16,17)18/h2-8,22H,9H2,1H3,(H2,19,20,21)
InChIKeyYQAUHKVLSKHVRR-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.33
Rot. Bonds4

About 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 71782647) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID71782647
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(O)(CNC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C15H15F3N2O3/c1-14(22,12-3-2-8-23-12)9-19-13(21)20-11-6-4-10(5-7-11)15(16,17)18/h2-8,22H,9H2,1H3,(H2,19,20,21)
InChIKeyYQAUHKVLSKHVRR-UHFFFAOYSA-N
XLogP3.33
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea
CID 111473834
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-phenyloxamide
CID 71782588
1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 84584978
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 95983765
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
1-(4-ethynyl-2,6-difluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 97328706
1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 90499492
1-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95981164
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56724287

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 71782647) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea is CC(O)(CNC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is YQAUHKVLSKHVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-14(22,12-3-2-8-23-12)9-19-13(21)20-11-6-4-10(5-7-11)15(16,17)18/h2-8,22H,9H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 328.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71782647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).