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

C18H11ClF2N2O3 — CID 20907370

IUPAC8-chloro-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cn2c3c(ccc(Cl)c3c1=O)OCC2
InChIInChI=1S/C18H11ClF2N2O3/c19-11-2-4-14-16-15(11)17(24)10(8-23(16)5-6-26-14)18(25)22-13-3-1-9(20)7-12(13)21/h1-4,7-8H,5-6H2,(H,22,25)
InChIKeyWABBSKZAHXMFDL-UHFFFAOYSA-N
MW376.75 g/mol
LogP3.58
Rot. Bonds2

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

8-chloro-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide (PubChem CID 20907370) has the molecular formula C18H11ClF2N2O3 and a molecular weight of 376.75 g/mol. Its IUPAC name is 8-chloro-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
PubChem CID20907370
Molecular FormulaC18H11ClF2N2O3
Molecular Weight376.75 g/mol
Exact Mass376.04
IUPAC Name8-chloro-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cn2c3c(ccc(Cl)c3c1=O)OCC2
InChIInChI=1S/C18H11ClF2N2O3/c19-11-2-4-14-16-15(11)17(24)10(8-23(16)5-6-26-14)18(25)22-13-3-1-9(20)7-12(13)21/h1-4,7-8H,5-6H2,(H,22,25)
InChIKeyWABBSKZAHXMFDL-UHFFFAOYSA-N
XLogP3.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-N-(2,5-difluorophenyl)-3-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
CID 20907337
N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763750
N-(2,4-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide
CID 39088966
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
N-(2,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 91156888
2-chloro-N-(2,4-difluorophenyl)furan-3-carboxamide
CID 106685284
(3R)-8-chloro-N-(2,5-diethoxyphenyl)-3-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
CID 92705528
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26364276
N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109200752

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The IUPAC name of 8-chloro-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide (CID 20907370) is 8-chloro-N-(2,4-difluorophenyl)-10-oxo-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-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The canonical SMILES for 8-chloro-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide is O=C(Nc1ccc(F)cc1F)c1cn2c3c(ccc(Cl)c3c1=O)OCC2.
What is the InChIKey of 8-chloro-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The InChIKey is WABBSKZAHXMFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2O3/c19-11-2-4-14-16-15(11)17(24)10(8-23(16)5-6-26-14)18(25)22-13-3-1-9(20)7-12(13)21/h1-4,7-8H,5-6H2,(H,22,25).
What are the key properties of 8-chloro-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
8-chloro-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide has a molecular weight of 376.75 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2,4-difluorophenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide is sourced from PubChem (CID 20907370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).