1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea

C15H15F3N2O3 — CID 111475072

IUPAC1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C15H15F3N2O3/c1-8-3-4-12(23-8)15(2,22)7-19-14(21)20-9-5-10(16)13(18)11(17)6-9/h3-6,22H,7H2,1-2H3,(H2,19,20,21)
InChIKeyGLLMWJWAHAQGSB-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.03
Rot. Bonds4

About 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea (PubChem CID 111475072) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea
PubChem CID111475072
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C15H15F3N2O3/c1-8-3-4-12(23-8)15(2,22)7-19-14(21)20-9-5-10(16)13(18)11(17)6-9/h3-6,22H,7H2,1-2H3,(H2,19,20,21)
InChIKeyGLLMWJWAHAQGSB-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472987
1-(2-chloro-5-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474596
1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472998
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 111474627
1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473863
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 167773743
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479428
1-[2-(dimethylamino)phenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473604
1-(5-cyano-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474375

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea (CID 111475072) is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea is Cc1ccc(C(C)(O)CNC(=O)Nc2cc(F)c(F)c(F)c2)o1.
What is the InChIKey of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea?
The InChIKey is GLLMWJWAHAQGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-8-3-4-12(23-8)15(2,22)7-19-14(21)20-9-5-10(16)13(18)11(17)6-9/h3-6,22H,7H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea?
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea has a molecular weight of 328.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea is sourced from PubChem (CID 111475072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).