1-benzyl-2,7-dichloroindole-3-carbaldehyde

C16H11Cl2NO — CID 82269368

IUPAC1-benzyl-2,7-dichloroindole-3-carbaldehyde
SMILESO=Cc1c(Cl)n(Cc2ccccc2)c2c(Cl)cccc12
InChIInChI=1S/C16H11Cl2NO/c17-14-8-4-7-12-13(10-20)16(18)19(15(12)14)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyIIYNVMWNJRLEOH-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.81
Rot. Bonds3

About 1-benzyl-2,7-dichloroindole-3-carbaldehyde

1-benzyl-2,7-dichloroindole-3-carbaldehyde (PubChem CID 82269368) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-benzyl-2,7-dichloroindole-3-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-2,7-dichloroindole-3-carbaldehyde
PubChem CID82269368
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name1-benzyl-2,7-dichloroindole-3-carbaldehyde
SMILESO=Cc1c(Cl)n(Cc2ccccc2)c2c(Cl)cccc12
InChIInChI=1S/C16H11Cl2NO/c17-14-8-4-7-12-13(10-20)16(18)19(15(12)14)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyIIYNVMWNJRLEOH-UHFFFAOYSA-N
XLogP4.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-2,7-dichloroindole-3-carbaldehyde 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

1-benzyl-2-chloro-7-fluoroindole-3-carbaldehyde
CID 82269294
2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
CID 82269315
1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde
CID 135066812
2-chloro-1-(3-phenylpropyl)indole-3-carbaldehyde
CID 14914493
2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde
CID 82268494
1-benzyl-5-chloropyrrole-2-carbaldehyde
CID 14686207
2,6,7-trichloro-1-ethylindole-3-carbaldehyde
CID 82269486
1-benzyl-7-chloroindole-3-carbonitrile
CID 83786157
2-benzyl-5-chloro-3-methylisoquinolin-1-one
CID 170901947
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
CID 11509882
1-[(3,4-dichlorophenyl)methyl]-2-methylindole-3-carbaldehyde
CID 879291
2-chloro-1-(4-phenylbut-3-ynyl)indole-3-carbaldehyde
CID 53386953

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,7-dichloroindole-3-carbaldehyde?
The IUPAC name of 1-benzyl-2,7-dichloroindole-3-carbaldehyde (CID 82269368) is 1-benzyl-2,7-dichloroindole-3-carbaldehyde.
What is the SMILES notation for 1-benzyl-2,7-dichloroindole-3-carbaldehyde?
The canonical SMILES for 1-benzyl-2,7-dichloroindole-3-carbaldehyde is O=Cc1c(Cl)n(Cc2ccccc2)c2c(Cl)cccc12.
What is the InChIKey of 1-benzyl-2,7-dichloroindole-3-carbaldehyde?
The InChIKey is IIYNVMWNJRLEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-14-8-4-7-12-13(10-20)16(18)19(15(12)14)9-11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 1-benzyl-2,7-dichloroindole-3-carbaldehyde?
1-benzyl-2,7-dichloroindole-3-carbaldehyde has a molecular weight of 304.18 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,7-dichloroindole-3-carbaldehyde is sourced from PubChem (CID 82269368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).