5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide

C17H12ClFN2O2 — CID 20916379

IUPAC5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc2c(Cl)ccc3c2n1CCO3
InChIInChI=1S/C17H12ClFN2O2/c18-11-5-6-15-16-10(11)9-14(21(16)7-8-23-15)17(22)20-13-4-2-1-3-12(13)19/h1-6,9H,7-8H2,(H,20,22)
InChIKeyFOLCIRMJZYJMIX-UHFFFAOYSA-N
MW330.75 g/mol
LogP4.08
Rot. Bonds2

About 5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide

5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide (PubChem CID 20916379) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is 5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
PubChem CID20916379
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC Name5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc2c(Cl)ccc3c2n1CCO3
InChIInChI=1S/C17H12ClFN2O2/c18-11-5-6-15-16-10(11)9-14(21(16)7-8-23-15)17(22)20-13-4-2-1-3-12(13)19/h1-6,9H,7-8H2,(H,20,22)
InChIKeyFOLCIRMJZYJMIX-UHFFFAOYSA-N
XLogP4.08
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide (CID 20916379) is 5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide is O=C(Nc1ccccc1F)c1cc2c(Cl)ccc3c2n1CCO3.
What is the InChIKey of 5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide?
The InChIKey is FOLCIRMJZYJMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c18-11-5-6-15-16-10(11)9-14(21(16)7-8-23-15)17(22)20-13-4-2-1-3-12(13)19/h1-6,9H,7-8H2,(H,20,22).
What are the key properties of 5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide?
5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide has a molecular weight of 330.75 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-fluorophenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide is sourced from PubChem (CID 20916379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).