2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C20H20ClF3N4O2 — CID 90321871

IUPAC2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)[C@H]1CN(c2ccc(Cl)cn2)C(=O)N1CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20ClF3N4O2/c1-12(2)16-10-28(17-7-6-14(21)9-25-17)19(30)27(16)11-18(29)26-15-5-3-4-13(8-15)20(22,23)24/h3-9,12,16H,10-11H2,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeySXATXJLHTBJQCY-MRXNPFEDSA-N
MW440.85 g/mol
LogP4.66
Rot. Bonds5

About 2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 90321871) has the molecular formula C20H20ClF3N4O2 and a molecular weight of 440.85 g/mol. Its IUPAC name is 2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID90321871
Molecular FormulaC20H20ClF3N4O2
Molecular Weight440.85 g/mol
Exact Mass440.12
IUPAC Name2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)[C@H]1CN(c2ccc(Cl)cn2)C(=O)N1CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20ClF3N4O2/c1-12(2)16-10-28(17-7-6-14(21)9-25-17)19(30)27(16)11-18(29)26-15-5-3-4-13(8-15)20(22,23)24/h3-9,12,16H,10-11H2,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeySXATXJLHTBJQCY-MRXNPFEDSA-N
XLogP4.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.85
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 90321871) is 2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is CC(C)[C@H]1CN(c2ccc(Cl)cn2)C(=O)N1CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SXATXJLHTBJQCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20ClF3N4O2/c1-12(2)16-10-28(17-7-6-14(21)9-25-17)19(30)27(16)11-18(29)26-15-5-3-4-13(8-15)20(22,23)24/h3-9,12,16H,10-11H2,1-2H3,(H,26,29)/t16-/m1/s1.
What are the key properties of 2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 440.85 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-(5-chloro-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90321871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).