7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide

C15H13F3N2O2 — CID 174355835

IUPAC7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cccc(OC(F)(F)F)c1.c1ccc2c(c1)CN2
InChIInChI=1S/C8H6F3NO2.C7H7N/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13;1-2-4-7-6(3-1)5-8-7/h1-4H,(H2,12,13);1-4,8H,5H2
InChIKeyBAXPROFQRKSUCS-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.30
Rot. Bonds2

About 7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide

7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide (PubChem CID 174355835) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide
PubChem CID174355835
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cccc(OC(F)(F)F)c1.c1ccc2c(c1)CN2
InChIInChI=1S/C8H6F3NO2.C7H7N/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13;1-2-4-7-6(3-1)5-8-7/h1-4H,(H2,12,13);1-4,8H,5H2
InChIKeyBAXPROFQRKSUCS-UHFFFAOYSA-N
XLogP3.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
1,2,3,4-tetrahydroisoquinolin-7-amine;3-(trifluoromethoxy)benzamide
CID 142270751
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
(3-carbamoylphenyl) 4-fluorobenzoate
CID 47175809
benzamide;1,2,3,4-tetrahydroquinoline
CID 68819505
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethoxy)phenyl]methanone
CID 79960181
3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 56986321
3-[2-(trifluoromethyl)phenoxy]benzamide
CID 133055658
3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide
CID 170460021

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide?
The IUPAC name of 7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide (CID 174355835) is 7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide.
What is the SMILES notation for 7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide?
The canonical SMILES for 7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide is NC(=O)c1cccc(OC(F)(F)F)c1.c1ccc2c(c1)CN2.
What is the InChIKey of 7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide?
The InChIKey is BAXPROFQRKSUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2.C7H7N/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13;1-2-4-7-6(3-1)5-8-7/h1-4H,(H2,12,13);1-4,8H,5H2.
What are the key properties of 7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide?
7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide has a molecular weight of 310.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 174355835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).