2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one

C18H15ClN2O2 — CID 46226381

IUPAC2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
SMILESO=C1NCC2c3c(cccc31)CCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O2/c19-13-5-1-4-12(9-13)18(23)21-8-7-11-3-2-6-14-16(11)15(21)10-20-17(14)22/h1-6,9,15H,7-8,10H2,(H,20,22)
InChIKeyYCIYQAMHWXRYOZ-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.82
Rot. Bonds1

About 2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one

2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one (PubChem CID 46226381) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one.

Molecular Properties

Compound Name2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
PubChem CID46226381
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
SMILESO=C1NCC2c3c(cccc31)CCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O2/c19-13-5-1-4-12(9-13)18(23)21-8-7-11-3-2-6-14-16(11)15(21)10-20-17(14)22/h1-6,9,15H,7-8,10H2,(H,20,22)
InChIKeyYCIYQAMHWXRYOZ-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one with MolForge

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Related Compounds

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[6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone
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CID 64980085
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
methyl 2-[(1R)-2-(3-chlorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The IUPAC name of 2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one (CID 46226381) is 2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one.
What is the SMILES notation for 2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The canonical SMILES for 2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one is O=C1NCC2c3c(cccc31)CCN2C(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The InChIKey is YCIYQAMHWXRYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-13-5-1-4-12(9-13)18(23)21-8-7-11-3-2-6-14-16(11)15(21)10-20-17(14)22/h1-6,9,15H,7-8,10H2,(H,20,22).
What are the key properties of 2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one has a molecular weight of 326.78 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorobenzoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one is sourced from PubChem (CID 46226381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).