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

C20H25ClN2O3 — CID 4731183

IUPACN-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)N(C)C2=O
InChIInChI=1S/C20H25ClN2O3/c1-12-13(21)7-6-8-14(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)
InChIKeyFROKCOKDXSUDHL-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.79
Rot. Bonds2

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

N-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731183) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731183
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)N(C)C2=O
InChIInChI=1S/C20H25ClN2O3/c1-12-13(21)7-6-8-14(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)
InChIKeyFROKCOKDXSUDHL-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
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982670
2-bromo-N-(3-chloro-2-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4654283
N-(3-chloro-2-methylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80590922
1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913116
N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789060
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204
1-N-(3-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982630
1-N'-(3-chloro-2-methylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982506
1-N-(3-chloro-2-methylphenyl)-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982631

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731183) is N-(3-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-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is Cc1c(Cl)cccc1NC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)N(C)C2=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is FROKCOKDXSUDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-12-13(21)7-6-8-14(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-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N-(3-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-(3-chloro-2-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).