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

C19H23FN2O3 — CID 110895528

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESCC(CCc1ccc(O)cc1)NC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3/c1-13(2-3-14-4-10-17(23)11-5-14)22-19(25)21-12-18(24)15-6-8-16(20)9-7-15/h4-11,13,18,23-24H,2-3,12H2,1H3,(H2,21,22,25)
InChIKeyFZKWFPNGPFBGBT-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.89
Rot. Bonds7

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

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea (PubChem CID 110895528) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
PubChem CID110895528
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESCC(CCc1ccc(O)cc1)NC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3/c1-13(2-3-14-4-10-17(23)11-5-14)22-19(25)21-12-18(24)15-6-8-16(20)9-7-15/h4-11,13,18,23-24H,2-3,12H2,1H3,(H2,21,22,25)
InChIKeyFZKWFPNGPFBGBT-UHFFFAOYSA-N
XLogP2.89
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.89
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-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea (CID 110895528) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea is CC(CCc1ccc(O)cc1)NC(=O)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The InChIKey is FZKWFPNGPFBGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-13(2-3-14-4-10-17(23)11-5-14)22-19(25)21-12-18(24)15-6-8-16(20)9-7-15/h4-11,13,18,23-24H,2-3,12H2,1H3,(H2,21,22,25).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea has a molecular weight of 346.40 g/mol, XLogP of 2.89, 7 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-[4-(4-hydroxyphenyl)butan-2-yl]urea is sourced from PubChem (CID 110895528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).