1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione

C18H16Cl2N2O3 — CID 32773430

IUPAC1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)N(CN(C)Cc1ccc(Cl)c(Cl)c1)C(=O)C2=O
InChIInChI=1S/C18H16Cl2N2O3/c1-21(9-11-3-6-14(19)15(20)7-11)10-22-16-8-12(25-2)4-5-13(16)17(23)18(22)24/h3-8H,9-10H2,1-2H3
InChIKeyABZXXRNUPLIGNW-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.62
Rot. Bonds5

About 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione

1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione (PubChem CID 32773430) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione.

Molecular Properties

Compound Name1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione
PubChem CID32773430
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione
SMILESCOc1ccc2c(c1)N(CN(C)Cc1ccc(Cl)c(Cl)c1)C(=O)C2=O
InChIInChI=1S/C18H16Cl2N2O3/c1-21(9-11-3-6-14(19)15(20)7-11)10-22-16-8-12(25-2)4-5-13(16)17(23)18(22)24/h3-8H,9-10H2,1-2H3
InChIKeyABZXXRNUPLIGNW-UHFFFAOYSA-N
XLogP3.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione
CID 9318515
1-[(6-chloro-3-pyridinyl)methyl]-6-methoxyindole-2,3-dione
CID 61356241
1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione
CID 52579710
1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione
CID 61356917
1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione
CID 9241221
1-(2-fluoroethyl)-6-methoxyindole-2,3-dione
CID 80695416
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-6-methoxyindole-2,3-dione
CID 61355412
1-butyl-6-methoxyindole-2,3-dione
CID 25194457
6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61356415
1-[2-(chloromethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
CID 103065739
1-[(E)-3-chloro-2-methylprop-2-enyl]-6-methoxyindole-2,3-dione
CID 106438767
6-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione
CID 31582782

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione?
The IUPAC name of 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione (CID 32773430) is 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione.
What is the SMILES notation for 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione?
The canonical SMILES for 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione is COc1ccc2c(c1)N(CN(C)Cc1ccc(Cl)c(Cl)c1)C(=O)C2=O.
What is the InChIKey of 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione?
The InChIKey is ABZXXRNUPLIGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-21(9-11-3-6-14(19)15(20)7-11)10-22-16-8-12(25-2)4-5-13(16)17(23)18(22)24/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione?
1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione has a molecular weight of 379.24 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione is sourced from PubChem (CID 32773430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).