N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

C18H20Cl2N2O3 — CID 4731116

IUPACN-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCC12CC(C)(CC(C)(C(=O)Nc3c(Cl)cccc3Cl)C1)C(=O)NC2=O
InChIInChI=1S/C18H20Cl2N2O3/c1-16(13(23)21-12-10(19)5-4-6-11(12)20)7-17(2)9-18(3,8-16)15(25)22-14(17)24/h4-6H,7-9H2,1-3H3,(H,21,23)(H,22,24,25)
InChIKeySHDIAWBHZVGVAO-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.79
Rot. Bonds2

About N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731116) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731116
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC NameN-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCC12CC(C)(CC(C)(C(=O)Nc3c(Cl)cccc3Cl)C1)C(=O)NC2=O
InChIInChI=1S/C18H20Cl2N2O3/c1-16(13(23)21-12-10(19)5-4-6-11(12)20)7-17(2)9-18(3,8-16)15(25)22-14(17)24/h4-6H,7-9H2,1-3H3,(H,21,23)(H,22,24,25)
InChIKeySHDIAWBHZVGVAO-UHFFFAOYSA-N
XLogP3.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731183
N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 66256845
3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid
CID 107046344
(1S,5S)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 2049796
N-(2,6-dichlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 580436
N-(2,6-dichlorophenyl)-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834452
1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982670
1,5,7-trimethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 4731061
1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983822
N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127324
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
N-(2,6-difluorophenyl)-4-methylpiperidine-4-carboxamide
CID 55177937

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731116) is N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is CC12CC(C)(CC(C)(C(=O)Nc3c(Cl)cccc3Cl)C1)C(=O)NC2=O.
What is the InChIKey of N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is SHDIAWBHZVGVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-16(13(23)21-12-10(19)5-4-6-11(12)20)7-17(2)9-18(3,8-16)15(25)22-14(17)24/h4-6H,7-9H2,1-3H3,(H,21,23)(H,22,24,25).
What are the key properties of N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 383.28 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).