6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole

C24H19ClFN — CID 122449152

IUPAC6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole
SMILESCc1ccc(/C=C/c2cn(Cc3ccc(F)cc3)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C24H19ClFN/c1-17-2-4-18(5-3-17)6-9-20-16-27(15-19-7-11-22(26)12-8-19)24-14-21(25)10-13-23(20)24/h2-14,16H,15H2,1H3/b9-6+
InChIKeyBJVXMJIVPYCMJR-RMKNXTFCSA-N
MW375.87 g/mol
LogP6.96
Rot. Bonds4

About 6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole

6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole (PubChem CID 122449152) has the molecular formula C24H19ClFN and a molecular weight of 375.87 g/mol. Its IUPAC name is 6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole.

Molecular Properties

Compound Name6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole
PubChem CID122449152
Molecular FormulaC24H19ClFN
Molecular Weight375.87 g/mol
Exact Mass375.12
IUPAC Name6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole
SMILESCc1ccc(/C=C/c2cn(Cc3ccc(F)cc3)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C24H19ClFN/c1-17-2-4-18(5-3-17)6-9-20-16-27(15-19-7-11-22(26)12-8-19)24-14-21(25)10-13-23(20)24/h2-14,16H,15H2,1H3/b9-6+
InChIKeyBJVXMJIVPYCMJR-RMKNXTFCSA-N
XLogP6.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.87
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole?
The IUPAC name of 6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole (CID 122449152) is 6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole.
What is the SMILES notation for 6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole?
The canonical SMILES for 6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole is Cc1ccc(/C=C/c2cn(Cc3ccc(F)cc3)c3cc(Cl)ccc23)cc1.
What is the InChIKey of 6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole?
The InChIKey is BJVXMJIVPYCMJR-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H19ClFN/c1-17-2-4-18(5-3-17)6-9-20-16-27(15-19-7-11-22(26)12-8-19)24-14-21(25)10-13-23(20)24/h2-14,16H,15H2,1H3/b9-6+.
What are the key properties of 6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole?
6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole has a molecular weight of 375.87 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(4-fluorophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]indole is sourced from PubChem (CID 122449152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).