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

C18H15F3N2O3 — CID 23409757

IUPAC2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)COc2ccccc21
InChIInChI=1S/C18H15F3N2O3/c1-11(23-14-8-4-5-9-15(14)26-10-16(23)24)17(25)22-13-7-3-2-6-12(13)18(19,20)21/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyHIBBCZMZBSELPR-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.46
Rot. Bonds3

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

2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 23409757) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID23409757
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)COc2ccccc21
InChIInChI=1S/C18H15F3N2O3/c1-11(23-14-8-4-5-9-15(14)26-10-16(23)24)17(25)22-13-7-3-2-6-12(13)18(19,20)21/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyHIBBCZMZBSELPR-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]propanehydrazide
CID 40963421
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 23409730
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1112277
(2R)-2-[(1R,2S,6R,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 98279467
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
3-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide
CID 55386609
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242253
2-fluoro-2-(3-oxo-1,4-benzoxazin-4-yl)acetic acid
CID 81297577
(2S)-2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 97257065
2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)propanehydrazide
CID 63578860
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 20887616
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46563153

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 23409757) is 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)COc2ccccc21.
What is the InChIKey of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HIBBCZMZBSELPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-11(23-14-8-4-5-9-15(14)26-10-16(23)24)17(25)22-13-7-3-2-6-12(13)18(19,20)21/h2-9,11H,10H2,1H3,(H,22,25).
What are the key properties of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 364.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 23409757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).