8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide

C16H17ClN2O3 — CID 6626045

IUPAC8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
SMILESCC(C)NC(=O)c1cn2c3c(ccc(Cl)c3c1=O)OC(C)C2
InChIInChI=1S/C16H17ClN2O3/c1-8(2)18-16(21)10-7-19-6-9(3)22-12-5-4-11(17)13(14(12)19)15(10)20/h4-5,7-9H,6H2,1-3H3,(H,18,21)
InChIKeyVESRTNFPIKENOF-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.57
Rot. Bonds2

About 8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide

8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide (PubChem CID 6626045) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide.

Molecular Properties

Compound Name8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
PubChem CID6626045
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
SMILESCC(C)NC(=O)c1cn2c3c(ccc(Cl)c3c1=O)OC(C)C2
InChIInChI=1S/C16H17ClN2O3/c1-8(2)18-16(21)10-7-19-6-9(3)22-12-5-4-11(17)13(14(12)19)15(10)20/h4-5,7-9H,6H2,1-3H3,(H,18,21)
InChIKeyVESRTNFPIKENOF-UHFFFAOYSA-N
XLogP2.57
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The IUPAC name of 8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide (CID 6626045) is 8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide.
What is the SMILES notation for 8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The canonical SMILES for 8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide is CC(C)NC(=O)c1cn2c3c(ccc(Cl)c3c1=O)OC(C)C2.
What is the InChIKey of 8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The InChIKey is VESRTNFPIKENOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-8(2)18-16(21)10-7-19-6-9(3)22-12-5-4-11(17)13(14(12)19)15(10)20/h4-5,7-9H,6H2,1-3H3,(H,18,21).
What are the key properties of 8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-10-oxo-N-propan-2-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide is sourced from PubChem (CID 6626045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).