1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea

C23H23F2N3O4 — CID 55929979

IUPAC1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)NCC(O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C23H23F2N3O4/c1-2-31-20-5-3-4-6-21(20)32-22-10-7-15(12-26-22)13-27-23(30)28-14-19(29)17-9-8-16(24)11-18(17)25/h3-12,19,29H,2,13-14H2,1H3,(H2,27,28,30)
InChIKeySBMXYIRJWRNFTK-UHFFFAOYSA-N
MW443.45 g/mol
LogP4.08
Rot. Bonds9

About 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea

1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea (PubChem CID 55929979) has the molecular formula C23H23F2N3O4 and a molecular weight of 443.45 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
PubChem CID55929979
Molecular FormulaC23H23F2N3O4
Molecular Weight443.45 g/mol
Exact Mass443.17
IUPAC Name1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)NCC(O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C23H23F2N3O4/c1-2-31-20-5-3-4-6-21(20)32-22-10-7-15(12-26-22)13-27-23(30)28-14-19(29)17-9-8-16(24)11-18(17)25/h3-12,19,29H,2,13-14H2,1H3,(H2,27,28,30)
InChIKeySBMXYIRJWRNFTK-UHFFFAOYSA-N
XLogP4.08
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 55929980
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 87006586
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 55821483
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47065602
1-benzyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 110952298
1-[(3-ethoxyphenyl)methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893418
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 86882869
1-(2-ethoxy-4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110896211
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 47066017
1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
CID 55921755
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 47066580
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111901120

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea (CID 55929979) is 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea is CCOc1ccccc1Oc1ccc(CNC(=O)NCC(O)c2ccc(F)cc2F)cn1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea?
The InChIKey is SBMXYIRJWRNFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O4/c1-2-31-20-5-3-4-6-21(20)32-22-10-7-15(12-26-22)13-27-23(30)28-14-19(29)17-9-8-16(24)11-18(17)25/h3-12,19,29H,2,13-14H2,1H3,(H2,27,28,30).
What are the key properties of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea?
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea has a molecular weight of 443.45 g/mol, XLogP of 4.08, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 55929979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).