1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid

C24H18Cl2FNO2 — CID 89437038

IUPAC1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ccn2Cc1cc(Cl)ccc1C(F)Cc1ccc(Cl)cc1
InChIInChI=1S/C24H18Cl2FNO2/c25-17-6-4-15(5-7-17)12-22(27)19-9-8-18(26)13-16(19)14-28-11-10-20-21(24(29)30)2-1-3-23(20)28/h1-11,13,22H,12,14H2,(H,29,30)
InChIKeySVNIQCBNDZGWGV-UHFFFAOYSA-N
MW442.32 g/mol
LogP6.95
Rot. Bonds6

About 1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid

1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid (PubChem CID 89437038) has the molecular formula C24H18Cl2FNO2 and a molecular weight of 442.32 g/mol. Its IUPAC name is 1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid
PubChem CID89437038
Molecular FormulaC24H18Cl2FNO2
Molecular Weight442.32 g/mol
Exact Mass441.07
IUPAC Name1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ccn2Cc1cc(Cl)ccc1C(F)Cc1ccc(Cl)cc1
InChIInChI=1S/C24H18Cl2FNO2/c25-17-6-4-15(5-7-17)12-22(27)19-9-8-18(26)13-16(19)14-28-11-10-20-21(24(29)30)2-1-3-23(20)28/h1-11,13,22H,12,14H2,(H,29,30)
InChIKeySVNIQCBNDZGWGV-UHFFFAOYSA-N
XLogP6.95
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.32
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid 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-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid?
The IUPAC name of 1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid (CID 89437038) is 1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid.
What is the SMILES notation for 1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid?
The canonical SMILES for 1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid is O=C(O)c1cccc2c1ccn2Cc1cc(Cl)ccc1C(F)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid?
The InChIKey is SVNIQCBNDZGWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FNO2/c25-17-6-4-15(5-7-17)12-22(27)19-9-8-18(26)13-16(19)14-28-11-10-20-21(24(29)30)2-1-3-23(20)28/h1-11,13,22H,12,14H2,(H,29,30).
What are the key properties of 1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid?
1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid has a molecular weight of 442.32 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-[2-(4-chlorophenyl)-1-fluoroethyl]phenyl]methyl]indole-4-carboxylic acid is sourced from PubChem (CID 89437038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).