5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole

C15H10Cl2FN — CID 141042971

IUPAC5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole
SMILESCC1(c2ccc(F)cc2Cl)C=Nc2ccc(Cl)cc21
InChIInChI=1S/C15H10Cl2FN/c1-15(11-4-3-10(18)7-13(11)17)8-19-14-5-2-9(16)6-12(14)15/h2-8H,1H3
InChIKeyVXJMHELIWHXMKY-UHFFFAOYSA-N
MW294.16 g/mol
LogP5.15
Rot. Bonds1

About 5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole

5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole (PubChem CID 141042971) has the molecular formula C15H10Cl2FN and a molecular weight of 294.16 g/mol. Its IUPAC name is 5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole.

Molecular Properties

Compound Name5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole
PubChem CID141042971
Molecular FormulaC15H10Cl2FN
Molecular Weight294.16 g/mol
Exact Mass293.02
IUPAC Name5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole
SMILESCC1(c2ccc(F)cc2Cl)C=Nc2ccc(Cl)cc21
InChIInChI=1S/C15H10Cl2FN/c1-15(11-4-3-10(18)7-13(11)17)8-19-14-5-2-9(16)6-12(14)15/h2-8H,1H3
InChIKeyVXJMHELIWHXMKY-UHFFFAOYSA-N
XLogP5.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.16
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole 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

5-chloro-3,3-dimethylindole
CID 22609005
5-chloro-3-methyl-3-propylindole
CID 71423472
5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 18753035
5-(2-chloro-4-fluorophenyl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56518049
2-chloro-7-fluoro-5,5-dimethyl-1-benzazepine
CID 123775597
3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 167326908
1-chloro-3-fluorobenzene;ethane
CID 142804083
2-(5-chloro-2-fluorophenyl)-2-methyloxirane
CID 82468551
4-(2-chloro-4-fluorophenyl)-2-methyl-1H-pyrimidine-4,5-diamine
CID 69003724
N-[[1-(2-chloro-4-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-2-amine
CID 64999293
5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
CID 79509873
3-chloro-1-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 71309867

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole?
The IUPAC name of 5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole (CID 141042971) is 5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole.
What is the SMILES notation for 5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole?
The canonical SMILES for 5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole is CC1(c2ccc(F)cc2Cl)C=Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole?
The InChIKey is VXJMHELIWHXMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN/c1-15(11-4-3-10(18)7-13(11)17)8-19-14-5-2-9(16)6-12(14)15/h2-8H,1H3.
What are the key properties of 5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole?
5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole has a molecular weight of 294.16 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chloro-4-fluorophenyl)-3-methylindole is sourced from PubChem (CID 141042971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).