3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole

C23H15ClF2N2 — CID 139526052

IUPAC3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C(c3ccc(Cl)cc3)c3c[nH]c4ccc(F)cc34)c2c1
InChIInChI=1S/C23H15ClF2N2/c24-14-3-1-13(2-4-14)23(19-11-27-21-7-5-15(25)9-17(19)21)20-12-28-22-8-6-16(26)10-18(20)22/h1-12,23,27-28H
InChIKeyTWGDGAAWUUAUNU-UHFFFAOYSA-N
MW392.84 g/mol
LogP6.76
Rot. Bonds3

About 3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole

3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole (PubChem CID 139526052) has the molecular formula C23H15ClF2N2 and a molecular weight of 392.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
PubChem CID139526052
Molecular FormulaC23H15ClF2N2
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C(c3ccc(Cl)cc3)c3c[nH]c4ccc(F)cc34)c2c1
InChIInChI=1S/C23H15ClF2N2/c24-14-3-1-13(2-4-14)23(19-11-27-21-7-5-15(25)9-17(19)21)20-12-28-22-8-6-16(26)10-18(20)22/h1-12,23,27-28H
InChIKeyTWGDGAAWUUAUNU-UHFFFAOYSA-N
XLogP6.76
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-3-[(6-fluoro-1H-indol-3-yl)-(4-methylphenyl)methyl]-1H-indole
CID 132532870
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
4-chloro-N-[2,2,2-trichloro-1-(5-fluoro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 139004840
4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline
CID 102231510
1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol
CID 68783636
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-5-fluoro-7-(methylsulfinylmethyl)-1H-indole
CID 58392491
1-(2-chloro-6-fluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine
CID 110453661
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole?
The IUPAC name of 3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole (CID 139526052) is 3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole.
What is the SMILES notation for 3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole?
The canonical SMILES for 3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole is Fc1ccc2[nH]cc(C(c3ccc(Cl)cc3)c3c[nH]c4ccc(F)cc34)c2c1.
What is the InChIKey of 3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole?
The InChIKey is TWGDGAAWUUAUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N2/c24-14-3-1-13(2-4-14)23(19-11-27-21-7-5-15(25)9-17(19)21)20-12-28-22-8-6-16(26)10-18(20)22/h1-12,23,27-28H.
What are the key properties of 3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole?
3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole has a molecular weight of 392.84 g/mol, XLogP of 6.76, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole is sourced from PubChem (CID 139526052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).