N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide

C19H16N2O3 — CID 110384467

IUPACN-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc3c4c(c2)CC(=O)N4CC3)c1
InChIInChI=1S/C19H16N2O3/c1-11(22)12-3-2-4-16(9-12)20-19(24)15-7-13-5-6-21-17(23)10-14(8-15)18(13)21/h2-4,7-9H,5-6,10H2,1H3,(H,20,24)
InChIKeySYUXFSRYPLWMJJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.59
Rot. Bonds3

About N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide

N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide (PubChem CID 110384467) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
PubChem CID110384467
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc3c4c(c2)CC(=O)N4CC3)c1
InChIInChI=1S/C19H16N2O3/c1-11(22)12-3-2-4-16(9-12)20-19(24)15-7-13-5-6-21-17(23)10-14(8-15)18(13)21/h2-4,7-9H,5-6,10H2,1H3,(H,20,24)
InChIKeySYUXFSRYPLWMJJ-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384044
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-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384316
N-(4-ethylphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384310
N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide
CID 7384427
N-(3-acetylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242503
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
CID 110384354
3,4-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 7384436
N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047928
4-bromo-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 7526321
N-(2-fluorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384313

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide (CID 110384467) is N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide is CC(=O)c1cccc(NC(=O)c2cc3c4c(c2)CC(=O)N4CC3)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?
The InChIKey is SYUXFSRYPLWMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-11(22)12-3-2-4-16(9-12)20-19(24)15-7-13-5-6-21-17(23)10-14(8-15)18(13)21/h2-4,7-9H,5-6,10H2,1H3,(H,20,24).
What are the key properties of N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?
N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide is sourced from PubChem (CID 110384467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).