3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea

C21H21F3N4O4 — CID 4213247

IUPAC3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea
SMILESCOCCN(CC(=O)N1CC(=O)N(c2ccc(F)cc2)C1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C21H21F3N4O4/c1-32-9-8-26(21(31)25-18-7-4-15(23)10-17(18)24)11-19(29)27-12-20(30)28(13-27)16-5-2-14(22)3-6-16/h2-7,10H,8-9,11-13H2,1H3,(H,25,31)
InChIKeyRBJNQIMNZSDGQW-UHFFFAOYSA-N
MW450.42 g/mol
LogP2.42
Rot. Bonds7

About 3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea

3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea (PubChem CID 4213247) has the molecular formula C21H21F3N4O4 and a molecular weight of 450.42 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea
PubChem CID4213247
Molecular FormulaC21H21F3N4O4
Molecular Weight450.42 g/mol
Exact Mass450.15
IUPAC Name3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea
SMILESCOCCN(CC(=O)N1CC(=O)N(c2ccc(F)cc2)C1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C21H21F3N4O4/c1-32-9-8-26(21(31)25-18-7-4-15(23)10-17(18)24)11-19(29)27-12-20(30)28(13-27)16-5-2-14(22)3-6-16/h2-7,10H,8-9,11-13H2,1H3,(H,25,31)
InChIKeyRBJNQIMNZSDGQW-UHFFFAOYSA-N
XLogP2.42
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea (CID 4213247) is 3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea is COCCN(CC(=O)N1CC(=O)N(c2ccc(F)cc2)C1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea?
The InChIKey is RBJNQIMNZSDGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O4/c1-32-9-8-26(21(31)25-18-7-4-15(23)10-17(18)24)11-19(29)27-12-20(30)28(13-27)16-5-2-14(22)3-6-16/h2-7,10H,8-9,11-13H2,1H3,(H,25,31).
What are the key properties of 3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea?
3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea has a molecular weight of 450.42 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea is sourced from PubChem (CID 4213247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).