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

C18H15ClN2O2 — CID 7384443

IUPAC4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
SMILESO=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c19-14-5-3-11(4-6-14)18(23)20-15-8-12-2-1-7-21-16(22)10-13(9-15)17(12)21/h3-6,8-9H,1-2,7,10H2,(H,20,23)
InChIKeyMASOHKPHYRXSDU-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.43
Rot. Bonds2

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

4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide (PubChem CID 7384443) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
PubChem CID7384443
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
SMILESO=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c19-14-5-3-11(4-6-14)18(23)20-15-8-12-2-1-7-21-16(22)10-13(9-15)17(12)21/h3-6,8-9H,1-2,7,10H2,(H,20,23)
InChIKeyMASOHKPHYRXSDU-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?
The IUPAC name of 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide (CID 7384443) is 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide is O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?
The InChIKey is MASOHKPHYRXSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-14-5-3-11(4-6-14)18(23)20-15-8-12-2-1-7-21-16(22)10-13(9-15)17(12)21/h3-6,8-9H,1-2,7,10H2,(H,20,23).
What are the key properties of 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?
4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide has a molecular weight of 326.78 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide is sourced from PubChem (CID 7384443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).