N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

C20H25ClN2O3 — CID 4731190

IUPACN-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)N(C)C2=O
InChIInChI=1S/C20H25ClN2O3/c1-12-8-13(21)6-7-14(12)22-15(24)18(2)9-19(3)11-20(4,10-18)17(26)23(5)16(19)25/h6-8H,9-11H2,1-5H3,(H,22,24)
InChIKeyMOWXLPHRXDOBPU-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.79
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731190) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731190
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)N(C)C2=O
InChIInChI=1S/C20H25ClN2O3/c1-12-8-13(21)6-7-14(12)22-15(24)18(2)9-19(3)11-20(4,10-18)17(26)23(5)16(19)25/h6-8H,9-11H2,1-5H3,(H,22,24)
InChIKeyMOWXLPHRXDOBPU-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731178
N'-(2,4-dichlorobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
CID 4731290
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
N-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731042
1-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 108980445
N-(4-chloro-2-methylphenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768340
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
N-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681056
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731190) is N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)N(C)C2=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is MOWXLPHRXDOBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-12-8-13(21)6-7-14(12)22-15(24)18(2)9-19(3)11-20(4,10-18)17(26)23(5)16(19)25/h6-8H,9-11H2,1-5H3,(H,22,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 376.88 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).