2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide

C17H22F4N2O2 — CID 170267215

IUPAC2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide
SMILESCc1c(F)cc(NC(=O)C(F)(F)F)cc1CC[C@H]1COC(C)(C)N1C
InChIInChI=1S/C17H22F4N2O2/c1-10-11(5-6-13-9-25-16(2,3)23(13)4)7-12(8-14(10)18)22-15(24)17(19,20)21/h7-8,13H,5-6,9H2,1-4H3,(H,22,24)/t13-/m0/s1
InChIKeyORWWJAXJTJJFMX-ZDUSSCGKSA-N
MW362.37 g/mol
LogP3.63
Rot. Bonds4

About 2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide

2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 170267215) has the molecular formula C17H22F4N2O2 and a molecular weight of 362.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide
PubChem CID170267215
Molecular FormulaC17H22F4N2O2
Molecular Weight362.37 g/mol
Exact Mass362.16
IUPAC Name2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide
SMILESCc1c(F)cc(NC(=O)C(F)(F)F)cc1CC[C@H]1COC(C)(C)N1C
InChIInChI=1S/C17H22F4N2O2/c1-10-11(5-6-13-9-25-16(2,3)23(13)4)7-12(8-14(10)18)22-15(24)17(19,20)21/h7-8,13H,5-6,9H2,1-4H3,(H,22,24)/t13-/m0/s1
InChIKeyORWWJAXJTJJFMX-ZDUSSCGKSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide (CID 170267215) is 2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide is Cc1c(F)cc(NC(=O)C(F)(F)F)cc1CC[C@H]1COC(C)(C)N1C.
What is the InChIKey of 2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is ORWWJAXJTJJFMX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22F4N2O2/c1-10-11(5-6-13-9-25-16(2,3)23(13)4)7-12(8-14(10)18)22-15(24)17(19,20)21/h7-8,13H,5-6,9H2,1-4H3,(H,22,24)/t13-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide?
2,2,2-trifluoro-N-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 362.37 g/mol, XLogP of 3.63, 4 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-[3-fluoro-4-methyl-5-[2-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 170267215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).