N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide

C19H23ClN2O3 — CID 19241385

IUPACN-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIInChI=1S/C19H23ClN2O3/c1-11-5-6-12(20)9-14(11)21-15(23)10-22-16(24)13-7-8-19(4,17(22)25)18(13,2)3/h5-6,9,13H,7-8,10H2,1-4H3,(H,21,23)
InChIKeyJXLRGURFGOQSKG-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.40
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 19241385) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID19241385
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIInChI=1S/C19H23ClN2O3/c1-11-5-6-12(20)9-14(11)21-15(23)10-22-16(24)13-7-8-19(4,17(22)25)18(13,2)3/h5-6,9,13H,7-8,10H2,1-4H3,(H,21,23)
InChIKeyJXLRGURFGOQSKG-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.40
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-(2-methyl-4-nitrophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241398
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2708221
N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241341
N-(5-chloro-2-methylphenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 23306599
N-(2-methylphenyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 19241711
N-(4-bromo-2-methylphenyl)-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19242119
N-(4-nitrophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241390
N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4797462
N-(5-chloro-2-methylphenyl)-2-[(1S,2R,6S,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetamide
CID 124715131
(1R,5R)-3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 18595741
1,8,8-trimethyl-3-[(2-methylanilino)methyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 3094906
N-(2-methyl-4-nitrophenyl)-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19242052

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 19241385) is N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)CN1C(=O)C2CCC(C)(C1=O)C2(C)C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is JXLRGURFGOQSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-11-5-6-12(20)9-14(11)21-15(23)10-22-16(24)13-7-8-19(4,17(22)25)18(13,2)3/h5-6,9,13H,7-8,10H2,1-4H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 362.86 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 19241385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).