2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole

C17H14Cl2N2O2 — CID 151881025

IUPAC2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole
SMILESCc1cc([N+](=O)[O-])cc2c1cc(Cc1c(Cl)cccc1Cl)n2C
InChIInChI=1S/C17H14Cl2N2O2/c1-10-6-12(21(22)23)9-17-13(10)7-11(20(17)2)8-14-15(18)4-3-5-16(14)19/h3-7,9H,8H2,1-2H3
InChIKeySOSHPSZPYZURQD-UHFFFAOYSA-N
MW349.22 g/mol
LogP5.29
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole

2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole (PubChem CID 151881025) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole
PubChem CID151881025
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole
SMILESCc1cc([N+](=O)[O-])cc2c1cc(Cc1c(Cl)cccc1Cl)n2C
InChIInChI=1S/C17H14Cl2N2O2/c1-10-6-12(21(22)23)9-17-13(10)7-11(20(17)2)8-14-15(18)4-3-5-16(14)19/h3-7,9H,8H2,1-2H3
InChIKeySOSHPSZPYZURQD-UHFFFAOYSA-N
XLogP5.29
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.22
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole 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-[(2,6-dichlorophenyl)methyl]-1,4-dimethylindole-5-carbonitrile
CID 151481745
1,4-dimethyl-6-nitroindole
CID 154020831
1-[(2,6-dichlorophenyl)methyl]-3-methyl-5-nitropyridin-2-one
CID 84570353
1-(2,6-dichlorophenyl)-N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]methanamine
CID 19060034
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
2-chloro-6-methyl-4-nitrobenzenethiol
CID 119001206
N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 26486969
2-(5-chloronaphthalen-1-yl)-7-methyl-5-nitro-1,3-benzoxazole
CID 95910763
4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbaldehyde
CID 146493665
N-(3-chloro-2-ethoxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 60579062
1-chloro-2-fluoro-3-methyl-5-nitrobenzene
CID 86042359
2-ethoxy-1,3-dimethyl-5-nitrobenzene
CID 13343824

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole (CID 151881025) is 2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole is Cc1cc([N+](=O)[O-])cc2c1cc(Cc1c(Cl)cccc1Cl)n2C.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole?
The InChIKey is SOSHPSZPYZURQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-10-6-12(21(22)23)9-17-13(10)7-11(20(17)2)8-14-15(18)4-3-5-16(14)19/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole?
2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole has a molecular weight of 349.22 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole is sourced from PubChem (CID 151881025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).