5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole

C16H12Cl2FN — CID 142538843

IUPAC5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole
SMILESCc1cn(Cc2ccc(F)cc2Cl)c2ccc(Cl)cc12
InChIInChI=1S/C16H12Cl2FN/c1-10-8-20(16-5-3-12(17)6-14(10)16)9-11-2-4-13(19)7-15(11)18/h2-8H,9H2,1H3
InChIKeyAFRXMKCPHHACNI-UHFFFAOYSA-N
MW308.18 g/mol
LogP5.44
Rot. Bonds2

About 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole

5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole (PubChem CID 142538843) has the molecular formula C16H12Cl2FN and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole.

Molecular Properties

Compound Name5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole
PubChem CID142538843
Molecular FormulaC16H12Cl2FN
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole
SMILESCc1cn(Cc2ccc(F)cc2Cl)c2ccc(Cl)cc12
InChIInChI=1S/C16H12Cl2FN/c1-10-8-20(16-5-3-12(17)6-14(10)16)9-11-2-4-13(19)7-15(11)18/h2-8H,9H2,1H3
InChIKeyAFRXMKCPHHACNI-UHFFFAOYSA-N
XLogP5.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.18
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-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-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane
CID 142538861
5-chloro-1-ethyl-3-methylindole
CID 23383492
6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one
CID 52998469
1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
CID 115569491
[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine
CID 105372683
[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanol
CID 105372625
5-chloro-2-fluoro-4-[(5-fluoro-3-methylindol-1-yl)methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 145181966
2-(5-fluoro-3-methylindol-1-yl)acetaldehyde
CID 83829697
4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane
CID 142538967
4-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-2-oxobut-3-enal
CID 76617987
N-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylethane-1,2-diamine
CID 124824977
5-bromo-1-[(2,4-dichlorophenyl)methyl]indole-3-carbonitrile
CID 988489

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole?
The IUPAC name of 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole (CID 142538843) is 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole.
What is the SMILES notation for 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole?
The canonical SMILES for 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole is Cc1cn(Cc2ccc(F)cc2Cl)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole?
The InChIKey is AFRXMKCPHHACNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN/c1-10-8-20(16-5-3-12(17)6-14(10)16)9-11-2-4-13(19)7-15(11)18/h2-8H,9H2,1H3.
What are the key properties of 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole?
5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole has a molecular weight of 308.18 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole is sourced from PubChem (CID 142538843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).