2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide

C22H20F7N3O3 — CID 10164354

IUPAC2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide
SMILESC[C@@H](OC[C@@]1(c2ccc(F)cc2)CN(CC(N)=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H20F7N3O3/c1-12(13-6-15(21(24,25)26)8-16(7-13)22(27,28)29)35-11-20(14-2-4-17(23)5-3-14)10-32(9-18(30)33)19(34)31-20/h2-8,12H,9-11H2,1H3,(H2,30,33)(H,31,34)/t12-,20-/m1/s1
InChIKeyYFVPYJYKDRXIGS-MPBGBICISA-N
MW507.41 g/mol
LogP4.35
Rot. Bonds7

About 2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide

2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 10164354) has the molecular formula C22H20F7N3O3 and a molecular weight of 507.41 g/mol. Its IUPAC name is 2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide
PubChem CID10164354
Molecular FormulaC22H20F7N3O3
Molecular Weight507.41 g/mol
Exact Mass507.14
IUPAC Name2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide
SMILESC[C@@H](OC[C@@]1(c2ccc(F)cc2)CN(CC(N)=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H20F7N3O3/c1-12(13-6-15(21(24,25)26)8-16(7-13)22(27,28)29)35-11-20(14-2-4-17(23)5-3-14)10-32(9-18(30)33)19(34)31-20/h2-8,12H,9-11H2,1H3,(H2,30,33)(H,31,34)/t12-,20-/m1/s1
InChIKeyYFVPYJYKDRXIGS-MPBGBICISA-N
XLogP4.35
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide (CID 10164354) is 2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide is C[C@@H](OC[C@@]1(c2ccc(F)cc2)CN(CC(N)=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is YFVPYJYKDRXIGS-MPBGBICISA-N. The full InChI is InChI=1S/C22H20F7N3O3/c1-12(13-6-15(21(24,25)26)8-16(7-13)22(27,28)29)35-11-20(14-2-4-17(23)5-3-14)10-32(9-18(30)33)19(34)31-20/h2-8,12H,9-11H2,1H3,(H2,30,33)(H,31,34)/t12-,20-/m1/s1.
What are the key properties of 2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide?
2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 507.41 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 10164354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).