N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide

C24H20ClN3O3 — CID 53365222

IUPACN-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide
SMILESCC12Oc3ccccc3C(NC(=O)N1c1ccccc1)C2C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O3/c1-24-20(22(29)26-16-13-11-15(25)12-14-16)21(18-9-5-6-10-19(18)31-24)27-23(30)28(24)17-7-3-2-4-8-17/h2-14,20-21H,1H3,(H,26,29)(H,27,30)
InChIKeyACJXSOMDIHGAJG-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.97
Rot. Bonds3

About N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide

N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide (PubChem CID 53365222) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide
PubChem CID53365222
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide
SMILESCC12Oc3ccccc3C(NC(=O)N1c1ccccc1)C2C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O3/c1-24-20(22(29)26-16-13-11-15(25)12-14-16)21(18-9-5-6-10-19(18)31-24)27-23(30)28(24)17-7-3-2-4-8-17/h2-14,20-21H,1H3,(H,26,29)(H,27,30)
InChIKeyACJXSOMDIHGAJG-UHFFFAOYSA-N
XLogP4.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide with MolForge

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Related Compounds

N-benzyl-N-methyl-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-10-yl)benzamide
CID 9551204
N,N,2-trimethyl-3-(2-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
CID 3469372
N,N,2-trimethyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
CID 4106454
N-(4-chlorophenyl)-2,8-dimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
CID 5075128
8-chloro-3-(4-chlorophenyl)-N,N,2-trimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
CID 5092583
8-chloro-3-(3-chlorophenyl)-N,N,2-trimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
CID 5092584
8-chloro-N,N,2-trimethyl-3-(3-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
CID 5092586
8-chloro-N,N,2-trimethyl-3-(4-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
CID 5092708
8-chloro-3-(4-methoxyphenyl)-N,N,2-trimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
CID 5092710
N,N,2-trimethyl-3-(3-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
CID 5092715
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 16029249
N,N,2-trimethyl-3-(4-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
CID 3469371

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide (CID 53365222) is N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide is CC12Oc3ccccc3C(NC(=O)N1c1ccccc1)C2C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide?
The InChIKey is ACJXSOMDIHGAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-24-20(22(29)26-16-13-11-15(25)12-14-16)21(18-9-5-6-10-19(18)31-24)27-23(30)28(24)17-7-3-2-4-8-17/h2-14,20-21H,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide?
N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-9-methyl-11-oxo-10-phenyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide is sourced from PubChem (CID 53365222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).