N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide

C21H11ClN2O3 — CID 1115342

IUPACN-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2c3c(onc13)-c1ccccc1C2=O
InChIInChI=1S/C21H11ClN2O3/c22-11-5-7-12(8-6-11)23-21(26)16-10-9-15-17-18(16)24-27-20(17)14-4-2-1-3-13(14)19(15)25/h1-10H,(H,23,26)
InChIKeyCKJGTKWWVVMKCR-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.94
Rot. Bonds2

About N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide

N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide (PubChem CID 1115342) has the molecular formula C21H11ClN2O3 and a molecular weight of 374.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide
PubChem CID1115342
Molecular FormulaC21H11ClN2O3
Molecular Weight374.78 g/mol
Exact Mass374.05
IUPAC NameN-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2c3c(onc13)-c1ccccc1C2=O
InChIInChI=1S/C21H11ClN2O3/c22-11-5-7-12(8-6-11)23-21(26)16-10-9-15-17-18(16)24-27-20(17)14-4-2-1-3-13(14)19(15)25/h1-10H,(H,23,26)
InChIKeyCKJGTKWWVVMKCR-UHFFFAOYSA-N
XLogP4.94
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_B(5)', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide (CID 1115342) is N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc2c3c(onc13)-c1ccccc1C2=O.
What is the InChIKey of N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide?
The InChIKey is CKJGTKWWVVMKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClN2O3/c22-11-5-7-12(8-6-11)23-21(26)16-10-9-15-17-18(16)24-27-20(17)14-4-2-1-3-13(14)19(15)25/h1-10H,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide?
N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide has a molecular weight of 374.78 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide is sourced from PubChem (CID 1115342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).