1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde

C16H11Cl2NO — CID 873071

IUPAC1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C16H11Cl2NO/c17-13-6-5-11(15(18)7-13)8-19-9-12(10-20)14-3-1-2-4-16(14)19/h1-7,9-10H,8H2
InChIKeyHLTLQNRYXOUOAX-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.81
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde

1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde (PubChem CID 873071) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde
PubChem CID873071
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C16H11Cl2NO/c17-13-6-5-11(15(18)7-13)8-19-9-12(10-20)14-3-1-2-4-16(14)19/h1-7,9-10H,8H2
InChIKeyHLTLQNRYXOUOAX-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-[(2,4-dichlorophenyl)methyl]indole-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

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde (CID 873071) is 1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde is O=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde?
The InChIKey is HLTLQNRYXOUOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-13-6-5-11(15(18)7-13)8-19-9-12(10-20)14-3-1-2-4-16(14)19/h1-7,9-10H,8H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde?
1-[(2,4-dichlorophenyl)methyl]indole-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-[(2,4-dichlorophenyl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 873071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).