N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide

C17H13F3N2O2 — CID 118149761

IUPACN-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=Nc3ccc(C(F)(F)F)cc3OC2)cc1
InChIInChI=1S/C17H13F3N2O2/c1-10(23)21-13-5-2-11(3-6-13)15-9-24-16-8-12(17(18,19)20)4-7-14(16)22-15/h2-8H,9H2,1H3,(H,21,23)
InChIKeyCTPFGQPHYPDNGE-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.18
Rot. Bonds2

About N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide

N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide (PubChem CID 118149761) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide
PubChem CID118149761
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC NameN-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=Nc3ccc(C(F)(F)F)cc3OC2)cc1
InChIInChI=1S/C17H13F3N2O2/c1-10(23)21-13-5-2-11(3-6-13)15-9-24-16-8-12(17(18,19)20)4-7-14(16)22-15/h2-8H,9H2,1H3,(H,21,23)
InChIKeyCTPFGQPHYPDNGE-UHFFFAOYSA-N
XLogP4.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide (CID 118149761) is N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=Nc3ccc(C(F)(F)F)cc3OC2)cc1.
What is the InChIKey of N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide?
The InChIKey is CTPFGQPHYPDNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-10(23)21-13-5-2-11(3-6-13)15-9-24-16-8-12(17(18,19)20)4-7-14(16)22-15/h2-8H,9H2,1H3,(H,21,23).
What are the key properties of N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide?
N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide has a molecular weight of 334.30 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 118149761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).