5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde

C22H14ClF2NO — CID 135067396

IUPAC5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)n(Cc2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C22H14ClF2NO/c23-16-5-10-21-19(11-16)20(13-27)22(15-3-8-18(25)9-4-15)26(21)12-14-1-6-17(24)7-2-14/h1-11,13H,12H2
InChIKeyIEDAVIPMGBEDRS-UHFFFAOYSA-N
MW381.81 g/mol
LogP6.10
Rot. Bonds4

About 5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde

5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde (PubChem CID 135067396) has the molecular formula C22H14ClF2NO and a molecular weight of 381.81 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
PubChem CID135067396
Molecular FormulaC22H14ClF2NO
Molecular Weight381.81 g/mol
Exact Mass381.07
IUPAC Name5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)n(Cc2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C22H14ClF2NO/c23-16-5-10-21-19(11-16)20(13-27)22(15-3-8-18(25)9-4-15)26(21)12-14-1-6-17(24)7-2-14/h1-11,13H,12H2
InChIKeyIEDAVIPMGBEDRS-UHFFFAOYSA-N
XLogP6.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.81
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde?
The IUPAC name of 5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde (CID 135067396) is 5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde is O=Cc1c(-c2ccc(F)cc2)n(Cc2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde?
The InChIKey is IEDAVIPMGBEDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF2NO/c23-16-5-10-21-19(11-16)20(13-27)22(15-3-8-18(25)9-4-15)26(21)12-14-1-6-17(24)7-2-14/h1-11,13H,12H2.
What are the key properties of 5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde?
5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde has a molecular weight of 381.81 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 135067396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).