N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide

C18H17ClN2O3 — CID 3116643

IUPACN-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide
SMILESCC(=O)N(CN1C(=O)C2C3C=CC(C3)C2C1=O)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O3/c1-10(22)20(14-4-2-3-13(19)8-14)9-21-17(23)15-11-5-6-12(7-11)16(15)18(21)24/h2-6,8,11-12,15-16H,7,9H2,1H3
InChIKeyCLRNTUYCMVCXBM-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.46
Rot. Bonds3

About N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide

N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide (PubChem CID 3116643) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide
PubChem CID3116643
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide
SMILESCC(=O)N(CN1C(=O)C2C3C=CC(C3)C2C1=O)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O3/c1-10(22)20(14-4-2-3-13(19)8-14)9-21-17(23)15-11-5-6-12(7-11)16(15)18(21)24/h2-6,8,11-12,15-16H,7,9H2,1H3
InChIKeyCLRNTUYCMVCXBM-UHFFFAOYSA-N
XLogP2.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
CID 3239993
2-(3-chloro-4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2732286
2-{3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
CID 3244234
(2S,6R)-4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 44389096
(2R,6S)-4-(3-chloro-4-fluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 44389123
(2R,6S)-4-(3,4-dichlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 44392268
4-[2-[4-(3-Chlorophenyl)piperazin-1-yl]ethoxy]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 44398870
4-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propoxy]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 44399024
(1S,2R,6S,7R)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 156014041
3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-N-methyl-N-phenylpropanamide
CID 2876146
N-(3-chlorophenyl)-N-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]acetamide
CID 650561
2-{[(4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2876195

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide (CID 3116643) is N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide is CC(=O)N(CN1C(=O)C2C3C=CC(C3)C2C1=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide?
The InChIKey is CLRNTUYCMVCXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-10(22)20(14-4-2-3-13(19)8-14)9-21-17(23)15-11-5-6-12(7-11)16(15)18(21)24/h2-6,8,11-12,15-16H,7,9H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide?
N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide has a molecular weight of 344.80 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)methyl]acetamide is sourced from PubChem (CID 3116643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).