2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C17H13F3N2O3 — CID 40505300

IUPAC2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)10-4-3-5-11(8-10)21-15(23)9-14-16(24)22-12-6-1-2-7-13(12)25-14/h1-8,14H,9H2,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyIZDCTIYGXWURRW-AWEZNQCLSA-N
MW350.30 g/mol
LogP3.43
Rot. Bonds3

About 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 40505300) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID40505300
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)10-4-3-5-11(8-10)21-15(23)9-14-16(24)22-12-6-1-2-7-13(12)25-14/h1-8,14H,9H2,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyIZDCTIYGXWURRW-AWEZNQCLSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881642
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768927
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1300512
N-(9H-fluoren-3-yl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9378346
N-(3-fluorophenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768967
2-[(11S)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2242059
N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9376437
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881627
N-(6-methyl-2-pyridinyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75769936
N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9188498
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9145083
[4-(trifluoromethyl)phenyl]methyl 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 33071381

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 40505300) is 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IZDCTIYGXWURRW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c18-17(19,20)10-4-3-5-11(8-10)21-15(23)9-14-16(24)22-12-6-1-2-7-13(12)25-14/h1-8,14H,9H2,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 350.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 40505300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).