N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide

C19H15F3N2O2 — CID 7384427

IUPACN-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)14-5-1-3-12(7-14)18(26)23-15-8-11-4-2-6-24-16(25)10-13(9-15)17(11)24/h1,3,5,7-9H,2,4,6,10H2,(H,23,26)
InChIKeyYHSNPRMPRGCYHJ-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.79
Rot. Bonds2

About N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide

N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide (PubChem CID 7384427) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide
PubChem CID7384427
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC NameN-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)14-5-1-3-12(7-14)18(26)23-15-8-11-4-2-6-24-16(25)10-13(9-15)17(11)24/h1,3,5,7-9H,2,4,6,10H2,(H,23,26)
InChIKeyYHSNPRMPRGCYHJ-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide
CID 7526568
3,4-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 7384436
6-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 166272856
3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 7526524
N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide
CID 18570780
N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384316
N-(2-fluorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384313
N-(4-ethylphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384310
N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
CID 110384467
N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 71449964
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide
CID 55732950
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-(trifluoromethyl)benzamide
CID 27545964

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide (CID 7384427) is N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is YHSNPRMPRGCYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-19(21,22)14-5-1-3-12(7-14)18(26)23-15-8-11-4-2-6-24-16(25)10-13(9-15)17(11)24/h1,3,5,7-9H,2,4,6,10H2,(H,23,26).
What are the key properties of N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide?
N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 360.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 7384427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).