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

C16H11Cl2NO — CID 107307208

IUPAC1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2cccc(Cl)c2Cl)c2ccccc12
InChIInChI=1S/C16H11Cl2NO/c17-14-6-3-4-11(16(14)18)8-19-9-12(10-20)13-5-1-2-7-15(13)19/h1-7,9-10H,8H2
InChIKeyBYKGSRUJLJIWLM-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.81
Rot. Bonds3

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

1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde (PubChem CID 107307208) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde
PubChem CID107307208
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2cccc(Cl)c2Cl)c2ccccc12
InChIInChI=1S/C16H11Cl2NO/c17-14-6-3-4-11(16(14)18)8-19-9-12(10-20)13-5-1-2-7-15(13)19/h1-7,9-10H,8H2
InChIKeyBYKGSRUJLJIWLM-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'}

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Related Compounds

1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445
1-[(4-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 114851412
1-[[2-(trifluoromethyl)phenyl]methyl]indole-3-carbaldehyde
CID 18973324
6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 102856701
(5E)-5-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137050847
1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde
CID 114346607
1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine
CID 3938272
1-[(4-nitrophenyl)methyl]indole-3-carbaldehyde
CID 883381
1-(2-chlorophenyl)indole-3-carbaldehyde
CID 87889462
[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]urea
CID 3801394
2-[[3-[(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]methyl]benzonitrile
CID 126102515
(1-benzylindol-3-yl)-deuteriomethanone
CID 176774794

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde (CID 107307208) is 1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde is O=Cc1cn(Cc2cccc(Cl)c2Cl)c2ccccc12.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde?
The InChIKey is BYKGSRUJLJIWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-14-6-3-4-11(16(14)18)8-19-9-12(10-20)13-5-1-2-7-15(13)19/h1-7,9-10H,8H2.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde?
1-[(2,3-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-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 107307208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).