N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione

C76H84Cl4N8O9 — CID 161394430

IUPACN-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione
SMILESCCOc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.Cc1cc(CN2C(=O)c3cccc(OCCN(C)C)c3C2=O)ccc1Cl.Cc1cc(N(C)C(=O)c2c(C)cccc2OCCN(C)C)ccc1Cl.Cc1cc(NC(=O)c2ccccc2NCCN(C)C)ccc1Cl
InChIInChI=1S/C20H21ClN2O3.C20H25ClN2O2.C18H22ClN3O.C18H16ClNO3/c1-13-11-14(7-8-16(13)21)12-23-19(24)15-5-4-6-17(18(15)20(23)25)26-10-9-22(2)3;1-14-7-6-8-18(25-12-11-22(3)4)19(14)20(24)23(5)16-9-10-17(21)15(2)13-16;1-13-12-14(8-9-16(13)19)21-18(23)15-6-4-5-7-17(15)20-10-11-22(2)3;1-3-23-15-6-4-5-13-16(15)18(22)20(17(13)21)10-12-7-8-14(19)11(2)9-12/h4-8,11H,9-10,12H2,1-3H3;6-10,13H,11-12H2,1-5H3;4-9,12,20H,10-11H2,1-3H3,(H,21,23);4-9H,3,10H2,1-2H3
InChIKeyVTKHXEVCVYGOEK-UHFFFAOYSA-N
MW1395.37 g/mol
LogP15.28
Rot. Bonds22

About N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione

N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione (PubChem CID 161394430) has the molecular formula C76H84Cl4N8O9 and a molecular weight of 1395.37 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione
PubChem CID161394430
Molecular FormulaC76H84Cl4N8O9
Molecular Weight1395.37 g/mol
Exact Mass1392.51
IUPAC NameN-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione
SMILESCCOc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.Cc1cc(CN2C(=O)c3cccc(OCCN(C)C)c3C2=O)ccc1Cl.Cc1cc(N(C)C(=O)c2c(C)cccc2OCCN(C)C)ccc1Cl.Cc1cc(NC(=O)c2ccccc2NCCN(C)C)ccc1Cl
InChIInChI=1S/C20H21ClN2O3.C20H25ClN2O2.C18H22ClN3O.C18H16ClNO3/c1-13-11-14(7-8-16(13)21)12-23-19(24)15-5-4-6-17(18(15)20(23)25)26-10-9-22(2)3;1-14-7-6-8-18(25-12-11-22(3)4)19(14)20(24)23(5)16-9-10-17(21)15(2)13-16;1-13-12-14(8-9-16(13)19)21-18(23)15-6-4-5-7-17(15)20-10-11-22(2)3;1-3-23-15-6-4-5-13-16(15)18(22)20(17(13)21)10-12-7-8-14(19)11(2)9-12/h4-8,11H,9-10,12H2,1-3H3;6-10,13H,11-12H2,1-5H3;4-9,12,20H,10-11H2,1-3H3,(H,21,23);4-9H,3,10H2,1-2H3
InChIKeyVTKHXEVCVYGOEK-UHFFFAOYSA-N
XLogP15.28
TPSA173.61 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001395.37
LogP ≤ 515.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione with MolForge

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Related Compounds

2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide
CID 158114674
N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide
CID 129303779
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 161187250
2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione
CID 118429123
2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione
CID 158120946
N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide
CID 157101806
N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510
4-butoxy-2-[(4-chloro-3-methylphenyl)methyl]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[2-[(4-chloro-3-methylphenyl)methyl]-1,3-dioxoisoindol-4-yl]oxyethyl-trimethylazanium;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentoxyisoindole-1,3-dione;chloride
CID 159893215
N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide
CID 129087164
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 60621841
N-[4-chloro-3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-methylbenzamide
CID 1318497
N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 163510336

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione (CID 161394430) is N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione is CCOc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.Cc1cc(CN2C(=O)c3cccc(OCCN(C)C)c3C2=O)ccc1Cl.Cc1cc(N(C)C(=O)c2c(C)cccc2OCCN(C)C)ccc1Cl.Cc1cc(NC(=O)c2ccccc2NCCN(C)C)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione?
The InChIKey is VTKHXEVCVYGOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3.C20H25ClN2O2.C18H22ClN3O.C18H16ClNO3/c1-13-11-14(7-8-16(13)21)12-23-19(24)15-5-4-6-17(18(15)20(23)25)26-10-9-22(2)3;1-14-7-6-8-18(25-12-11-22(3)4)19(14)20(24)23(5)16-9-10-17(21)15(2)13-16;1-13-12-14(8-9-16(13)19)21-18(23)15-6-4-5-7-17(15)20-10-11-22(2)3;1-3-23-15-6-4-5-13-16(15)18(22)20(17(13)21)10-12-7-8-14(19)11(2)9-12/h4-8,11H,9-10,12H2,1-3H3;6-10,13H,11-12H2,1-5H3;4-9,12,20H,10-11H2,1-3H3,(H,21,23);4-9H,3,10H2,1-2H3.
What are the key properties of N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione?
N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione has a molecular weight of 1395.37 g/mol, XLogP of 15.28, 22 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione is sourced from PubChem (CID 161394430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).