1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole

C22H14Cl2F3N — CID 141006265

IUPAC1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole
SMILESFC(F)(F)c1ccc(-c2cccc3c2ccn3Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H14Cl2F3N/c23-19-9-4-14(12-20(19)24)13-28-11-10-18-17(2-1-3-21(18)28)15-5-7-16(8-6-15)22(25,26)27/h1-12H,13H2
InChIKeyBMHCWFXJSQHMRK-UHFFFAOYSA-N
MW420.26 g/mol
LogP7.68
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole

1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole (PubChem CID 141006265) has the molecular formula C22H14Cl2F3N and a molecular weight of 420.26 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole
PubChem CID141006265
Molecular FormulaC22H14Cl2F3N
Molecular Weight420.26 g/mol
Exact Mass419.05
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole
SMILESFC(F)(F)c1ccc(-c2cccc3c2ccn3Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H14Cl2F3N/c23-19-9-4-14(12-20(19)24)13-28-11-10-18-17(2-1-3-21(18)28)15-5-7-16(8-6-15)22(25,26)27/h1-12H,13H2
InChIKeyBMHCWFXJSQHMRK-UHFFFAOYSA-N
XLogP7.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.26
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-4-methylindole
CID 116620210
4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
CID 116626065
1-[[4-(trifluoromethyl)phenyl]methyl]indole-4-carbaldehyde
CID 11044881
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole
CID 107887790
1-[(3,4-dichlorophenyl)methyl]-3-methyl-5-[4-(trifluoromethyl)phenyl]pyrazole
CID 68745288
1-[(3,4-dichlorophenyl)methyl]-4-phenylindole-2-carboxylic acid
CID 22310972
1-benzyl-6-[4-(trifluoromethyl)phenyl]indole
CID 22032920
2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619724
6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
CID 118427625
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631582
1-[(3-chloro-4-fluorophenyl)methyl]indole-4-carbothioamide
CID 107919278
4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole
CID 167975019

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole (CID 141006265) is 1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole is FC(F)(F)c1ccc(-c2cccc3c2ccn3Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole?
The InChIKey is BMHCWFXJSQHMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F3N/c23-19-9-4-14(12-20(19)24)13-28-11-10-18-17(2-1-3-21(18)28)15-5-7-16(8-6-15)22(25,26)27/h1-12H,13H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole?
1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole has a molecular weight of 420.26 g/mol, XLogP of 7.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 141006265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).