1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

C17H21FN2O4 — CID 111473863

IUPAC1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCCOc1cc(F)ccc1NC(=O)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C17H21FN2O4/c1-4-23-14-9-12(18)6-7-13(14)20-16(21)19-10-17(3,22)15-8-5-11(2)24-15/h5-9,22H,4,10H2,1-3H3,(H2,19,20,21)
InChIKeyUOEGFFOBHHRVAD-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.16
Rot. Bonds6

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

1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (PubChem CID 111473863) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
PubChem CID111473863
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCCOc1cc(F)ccc1NC(=O)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C17H21FN2O4/c1-4-23-14-9-12(18)6-7-13(14)20-16(21)19-10-17(3,22)15-8-5-11(2)24-15/h5-9,22H,4,10H2,1-3H3,(H2,19,20,21)
InChIKeyUOEGFFOBHHRVAD-UHFFFAOYSA-N
XLogP3.16
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472998
1-(2-chloro-5-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474596
1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472987
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea
CID 111473769
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea
CID 111475072
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 167773743
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957990
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (CID 111473863) is 1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.
What is the SMILES notation for 1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The canonical SMILES for 1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is CCOc1cc(F)ccc1NC(=O)NCC(C)(O)c1ccc(C)o1.
What is the InChIKey of 1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The InChIKey is UOEGFFOBHHRVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-4-23-14-9-12(18)6-7-13(14)20-16(21)19-10-17(3,22)15-8-5-11(2)24-15/h5-9,22H,4,10H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea has a molecular weight of 336.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is sourced from PubChem (CID 111473863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).