2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide

C21H20F4N2O3 — CID 25318494

IUPAC2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide
SMILESO=C(NC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)N(C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H20F4N2O3/c22-15-10-8-14(9-11-15)18(19(28)26-13-17-7-4-12-30-17)27(20(29)21(23,24)25)16-5-2-1-3-6-16/h1-3,5-6,8-11,17-18H,4,7,12-13H2,(H,26,28)/t17-,18+/m1/s1
InChIKeyIYFQXEBXDHNDRB-MSOLQXFVSA-N
MW424.39 g/mol
LogP3.76
Rot. Bonds6

About 2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide

2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide (PubChem CID 25318494) has the molecular formula C21H20F4N2O3 and a molecular weight of 424.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide
PubChem CID25318494
Molecular FormulaC21H20F4N2O3
Molecular Weight424.39 g/mol
Exact Mass424.14
IUPAC Name2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide
SMILESO=C(NC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)N(C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H20F4N2O3/c22-15-10-8-14(9-11-15)18(19(28)26-13-17-7-4-12-30-17)27(20(29)21(23,24)25)16-5-2-1-3-6-16/h1-3,5-6,8-11,17-18H,4,7,12-13H2,(H,26,28)/t17-,18+/m1/s1
InChIKeyIYFQXEBXDHNDRB-MSOLQXFVSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 25307870
N-(4-fluorophenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 3215354
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-2-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25312827
N-(oxolan-2-ylmethyl)-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3216673
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-2-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40965154
methyl 4-[1-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzoate
CID 3191667
methyl 4-[(1R)-1-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]benzoate
CID 98098753
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-2-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25312299
(2R)-2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1153972
4-amino-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25450369
4-amino-5-N-(2-ethylphenyl)-5-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40648882
N-[(2-chlorophenyl)methyl]-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 1142431

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide (CID 25318494) is 2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide is O=C(NC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)N(C(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide?
The InChIKey is IYFQXEBXDHNDRB-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H20F4N2O3/c22-15-10-8-14(9-11-15)18(19(28)26-13-17-7-4-12-30-17)27(20(29)21(23,24)25)16-5-2-1-3-6-16/h1-3,5-6,8-11,17-18H,4,7,12-13H2,(H,26,28)/t17-,18+/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide?
2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide has a molecular weight of 424.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide is sourced from PubChem (CID 25318494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).