N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide

C18H15ClN2O2 — CID 110384316

IUPACN-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C18H15ClN2O2/c19-14-3-5-15(6-4-14)20-18(23)13-8-11-2-1-7-21-16(22)10-12(9-13)17(11)21/h3-6,8-9H,1-2,7,10H2,(H,20,23)
InChIKeyNIYVXFHENHSVHV-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.43
Rot. Bonds2

About N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide

N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide (PubChem CID 110384316) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
PubChem CID110384316
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C18H15ClN2O2/c19-14-3-5-15(6-4-14)20-18(23)13-8-11-2-1-7-21-16(22)10-12(9-13)17(11)21/h3-6,8-9H,1-2,7,10H2,(H,20,23)
InChIKeyNIYVXFHENHSVHV-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide (CID 110384316) is N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)CC(=O)N3CCC2.
What is the InChIKey of N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
The InChIKey is NIYVXFHENHSVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-14-3-5-15(6-4-14)20-18(23)13-8-11-2-1-7-21-16(22)10-12(9-13)17(11)21/h3-6,8-9H,1-2,7,10H2,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide 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 N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide is sourced from PubChem (CID 110384316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).