1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea

C23H24FN3O4 — CID 55929980

IUPAC1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)NCC(O)c2ccccc2F)cn1
InChIInChI=1S/C23H24FN3O4/c1-2-30-20-9-5-6-10-21(20)31-22-12-11-16(13-25-22)14-26-23(29)27-15-19(28)17-7-3-4-8-18(17)24/h3-13,19,28H,2,14-15H2,1H3,(H2,26,27,29)
InChIKeyBQDIHOVWIYDQCM-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.94
Rot. Bonds9

About 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea

1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 55929980) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID55929980
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)NCC(O)c2ccccc2F)cn1
InChIInChI=1S/C23H24FN3O4/c1-2-30-20-9-5-6-10-21(20)31-22-12-11-16(13-25-22)14-26-23(29)27-15-19(28)17-7-3-4-8-18(17)24/h3-13,19,28H,2,14-15H2,1H3,(H2,26,27,29)
InChIKeyBQDIHOVWIYDQCM-UHFFFAOYSA-N
XLogP3.94
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
CID 55929979
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-[(3-ethoxyphenyl)methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893418
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 75887806
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-[[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
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 110893422
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

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea (CID 55929980) is 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea is CCOc1ccccc1Oc1ccc(CNC(=O)NCC(O)c2ccccc2F)cn1.
What is the InChIKey of 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is BQDIHOVWIYDQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-2-30-20-9-5-6-10-21(20)31-22-12-11-16(13-25-22)14-26-23(29)27-15-19(28)17-7-3-4-8-18(17)24/h3-13,19,28H,2,14-15H2,1H3,(H2,26,27,29).
What are the key properties of 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 425.46 g/mol, XLogP of 3.94, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 55929980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).