1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea

C18H21FN2O3 — CID 110903985

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
SMILESCC(Cc1ccc(O)cc1)NC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3/c1-12(10-13-2-8-16(22)9-3-13)21-18(24)20-11-17(23)14-4-6-15(19)7-5-14/h2-9,12,17,22-23H,10-11H2,1H3,(H2,20,21,24)
InChIKeyDZUMNBZEYRBALY-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.50
Rot. Bonds6

About 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea (PubChem CID 110903985) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
PubChem CID110903985
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
SMILESCC(Cc1ccc(O)cc1)NC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3/c1-12(10-13-2-8-16(22)9-3-13)21-18(24)20-11-17(23)14-4-6-15(19)7-5-14/h2-9,12,17,22-23H,10-11H2,1H3,(H2,20,21,24)
InChIKeyDZUMNBZEYRBALY-UHFFFAOYSA-N
XLogP2.50
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea (CID 110903985) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea is CC(Cc1ccc(O)cc1)NC(=O)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The InChIKey is DZUMNBZEYRBALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-12(10-13-2-8-16(22)9-3-13)21-18(24)20-11-17(23)14-4-6-15(19)7-5-14/h2-9,12,17,22-23H,10-11H2,1H3,(H2,20,21,24).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea has a molecular weight of 332.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 110903985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).